{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "S" "S" "S" "S" ] } "a" { "source-value" [ 7.029 6.558031 6.266143 6.054071 5.887408 5.750097 5.63333 5.531753 5.441865 5.361251 5.288175 5.221348 5.159783 5.102713 5.049526 4.999726 4.952909 4.908736 4.866925 4.827237 4.789466 4.753435 4.718991 4.686 4.652648 4.618278 4.582827 4.546224 4.508392 4.469246 4.42869 4.38662 4.342918 4.297453 4.250075 4.200618 4.148889 4.094671 4.037711 3.977718 3.914351 3.847206 3.775804 3.69957 3.617801 3.529631 3.433971 3.32943 3.214188 3.085802 2.940883 2.774535 2.579302 2.343 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.029e-10 6.558031e-10 6.266143e-10 6.054071000000001e-10 5.887408e-10 5.750097000000001e-10 5.63333e-10 5.531753e-10 5.441865e-10 5.361251000000001e-10 5.288175e-10 5.221348e-10 5.159783e-10 5.102712999999999e-10 5.049526e-10 4.999726e-10 4.952909e-10 4.908736e-10 4.866925000000001e-10 4.827237e-10 4.789466e-10 4.753435e-10 4.718991e-10 4.686e-10 4.6526480000000004e-10 4.618278e-10 4.5828270000000003e-10 4.5462239999999997e-10 4.5083919999999997e-10 4.469246e-10 4.42869e-10 4.38662e-10 4.342918e-10 4.297453e-10 4.250075e-10 4.2006180000000005e-10 4.1488889999999996e-10 4.094671e-10 4.037711e-10 3.977718e-10 3.914351e-10 3.8472060000000003e-10 3.7758040000000003e-10 3.69957e-10 3.617801e-10 3.5296310000000005e-10 3.4339710000000003e-10 3.32943e-10 3.214188e-10 3.0858020000000005e-10 2.940883e-10 2.7745350000000004e-10 2.579302e-10 2.343e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 8.01414e-12 3.43682e-05 0.00321461 0.0286333 0.104013 0.243551 0.444395 0.693344 0.97326 1.26702 1.55946 1.83803 2.09298 2.31697 2.50482 2.65309 2.75972 2.82375 2.84501 2.82163 2.74518 2.60524 2.38996 2.08589 1.67772 1.14801 0.476902 -0.358377 -1.38395 -2.63 -4.13147 -5.92925 -8.0713 -10.6147 -13.6276 -17.1925 -21.4176 -26.483 -32.7175 -40.6513 -51.0342 -64.8531 -83.3825 -108.309 -142.686 -200.136 -316.668 -557.548 -1097.39 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.284006784960476e-30 5.5063926992638796e-24 5.15037302942274e-22 4.5875604214312196e-21 1.66647198232242e-20 3.9021172138733397e-20 7.1199928526643e-20 1.110859556124096e-19 1.55933443080684e-19 2.02998983881068e-19 2.49853037365764e-19 2.94484871859102e-19 3.3533236514293194e-19 3.7121951956789795e-19 4.01316407637588e-19 4.25071880589906e-19 4.42155890038248e-19 4.5241462702575e-19 4.55820854549634e-19 4.520749655793419e-19 4.398263252124119e-19 4.1740546539621594e-19 3.8291380681946395e-19 3.3419642190942596e-19 2.68800378239448e-19 1.83931479759834e-19 7.64081241107868e-20 -5.741832555630179e-20 -2.2173323526242997e-19 -4.2137245474199997e-19 -6.61934469807198e-19 -9.499705807144499e-19 -1.29316482660042e-18 -1.7006624316919797e-18 -2.1833822297498397e-18 -2.7545421780044997e-18 -3.43147782763584e-18 -4.2430443798222e-18 -5.2419214022895e-18 -6.513056300172419e-18 -8.17658027748828e-18 -1.0390612146246539e-17 -1.3359349318450498e-17 -1.7353014905190598e-17 -2.2860817519892398e-17 -3.20653222822224e-17 -5.0735807033551196e-17 -8.932903779334319e-17 -1.75821261638526e-16 ] } }