{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.33662 4.979047 4.757438 4.596427 4.469892 4.365642 4.276989 4.199869 4.131624 4.070419 4.014938 3.964201 3.917459 3.87413 3.833749 3.79594 3.760394 3.726857 3.695114 3.664981 3.636304 3.608948 3.582798 3.55775 3.540698 3.522752 3.503812 3.483762 3.462464 3.439751 3.415424 3.389233 3.36087 3.329942 3.295939 3.258179 3.215731 3.16726 3.110773 3.04308 2.958609 2.8462 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.33662e-10 4.979047e-10 4.757438e-10 4.5964270000000006e-10 4.469892e-10 4.3656420000000004e-10 4.2769890000000004e-10 4.1998689999999996e-10 4.1316240000000004e-10 4.0704190000000006e-10 4.014938e-10 3.9642010000000004e-10 3.917459e-10 3.8741300000000004e-10 3.833749e-10 3.79594e-10 3.760394e-10 3.726857e-10 3.695114e-10 3.6649810000000004e-10 3.636304e-10 3.608948e-10 3.582798e-10 3.55775e-10 3.540698e-10 3.522752e-10 3.503812e-10 3.483762e-10 3.462464e-10 3.4397509999999997e-10 3.415424e-10 3.389233e-10 3.36087e-10 3.329942e-10 3.2959390000000005e-10 3.258179e-10 3.215731e-10 3.16726e-10 3.110773e-10 3.04308e-10 2.9586090000000003e-10 2.8462e-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 0 0 0.0144793 0.666712 1.8536 3.12106 4.24142 5.13783 5.80762 6.27689 6.57854 6.74488 6.85947 6.95823 7.04264 7.11398 7.17333 7.22162 7.2597 7.28829 7.30803 7.3195 7.32322 7.32143 7.31557 7.30476 7.28787 7.2635 7.22981 7.18441 7.12411 7.04459 6.93987 6.80143 6.61678 6.36689 6.02132 5.52844 4.79319 3.61987 1.53027 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.31983961366762e-21 1.0681903880074079e-19 2.9697946087823994e-19 5.000489405312039e-19 6.795504018980279e-19 8.231711175464219e-19 9.30483306315108e-19 1.0056686492188259e-18 1.053998307383436e-18 1.080648913513392e-18 1.099008255562398e-18 1.114831351999782e-18 1.1283553249673758e-18 1.1397852530743319e-18 1.149294171397122e-18 1.157031082362708e-18 1.1631321709849799e-18 1.167712793981586e-18 1.1708754906571019e-18 1.1727131872562999e-18 1.173309196964148e-18 1.173022407346662e-18 1.172083531839138e-18 1.170351578897784e-18 1.1676455025629578e-18 1.1637409981059e-18 1.158343265025954e-18 1.151069383107594e-18 1.1414082580045739e-18 1.1286677494110059e-18 1.111889755699758e-18 1.0897092223786619e-18 1.060125030831852e-18 1.0200882389248259e-18 9.647218209836879e-19 8.85753739047096e-19 7.67953702032246e-19 5.799671132117579e-19 2.4517628377111796e-19 ] } }