{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.12189 8.51069 8.131892 7.856676 7.640389 7.462193 7.310659 7.178837 7.062185 6.957568 6.862734 6.776008 6.696112 6.62205 6.553026 6.488398 6.427641 6.370316 6.316056 6.26455 6.215533 6.168773 6.124074 6.08126 6.037977 5.993374 5.947367 5.899866 5.85077 5.799967 5.747336 5.69274 5.636026 5.577023 5.515538 5.451355 5.384224 5.313862 5.239943 5.162087 5.079851 4.992714 4.900053 4.80112 4.695005 4.580582 4.456439 4.32077 4.171214 4.004601 3.816533 3.600654 3.34729 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.121890000000001e-10 8.51069e-10 8.131892000000001e-10 7.856676000000001e-10 7.640389e-10 7.462193e-10 7.310659000000001e-10 7.178836999999999e-10 7.062185000000001e-10 6.957568e-10 6.862734e-10 6.776008000000001e-10 6.696112000000001e-10 6.62205e-10 6.553026e-10 6.488398e-10 6.427641e-10 6.370316e-10 6.316056e-10 6.26455e-10 6.215533e-10 6.168773e-10 6.124074000000001e-10 6.08126e-10 6.037977e-10 5.993374e-10 5.947367e-10 5.899866e-10 5.85077e-10 5.799966999999999e-10 5.747335999999999e-10 5.69274e-10 5.636026e-10 5.577023e-10 5.515538000000001e-10 5.451355000000001e-10 5.384224e-10 5.313862000000001e-10 5.239943e-10 5.162087e-10 5.079851e-10 4.992714e-10 4.900053e-10 4.80112e-10 4.695005e-10 4.5805819999999996e-10 4.456439e-10 4.3207700000000005e-10 4.1712140000000004e-10 4.004601e-10 3.8165330000000004e-10 3.600654e-10 3.3472900000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.551567 0.972741 1.25419 1.47412 1.66958 1.84561 2.00246 2.14096 2.26254 2.3678 2.45428 2.52076 2.56735 2.59505 2.6095 2.61861 2.62793 2.63937 2.65146 2.6629 2.67275 2.68032 2.68511 2.68676 2.68485 2.67836 2.66557 2.6441 2.61117 2.56345 2.49698 2.40733 2.29021 2.14615 1.97916 1.79395 1.58918 1.35894 1.09575 0.790072 0.429747 -0.000894226 -0.52434 -1.17773 -2.01045 -3.07693 -4.42272 -6.18431 -8.54648 -11.6527 -16.2618 -23.6743 -37.9443 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.837077594854779e-20 1.5585029011337938e-19 2.0094339125964597e-19 2.36180061971208e-19 2.6749620645937197e-19 2.9569932174767396e-19 3.20829462251964e-19 3.43019608632864e-19 3.6249887214903595e-19 3.7936338339851995e-19 3.9321900692935195e-19 4.03870277192184e-19 4.1133481812998995e-19 4.1577284740617e-19 4.180879926423e-19 4.1954757555587394e-19 4.21040804178762e-19 4.2287369424805795e-19 4.24810725798564e-19 4.2664361586785996e-19 4.2822175985235e-19 4.29434607564288e-19 4.3020205017197397e-19 4.30466409316584e-19 4.3016039357948996e-19 4.29120580944024e-19 4.2707139702913803e-19 4.2363152379593993e-19 4.1835555614017796e-19 4.1070996924272997e-19 4.00060301156532e-19 3.8569678763272195e-19 3.6693209489531397e-19 3.4385113830591e-19 3.17096390694744e-19 2.8742247725642997e-19 2.54614706322012e-19 2.17726191500796e-19 1.7555850467055e-19 1.2658348975776479e-19 6.88530601931598e-20 -1.4327080027152839e-22 -8.4008529627156e-20 -1.8869314871608198e-19 -3.2210960138253e-19 -4.92978535045362e-19 -7.085978642724479e-19 -9.908356979412539e-19 -1.3692970558948321e-18 -1.86696836630118e-18 -2.60542759867812e-18 -3.793041028630619e-18 -6.079347085348619e-18 ] } }