{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.74313 6.291315 6.011299 5.807852 5.647967 5.51624 5.404222 5.306777 5.220544 5.143209 5.073105 5.008995 4.949934 4.895185 4.844161 4.796387 4.751473 4.709097 4.668987 4.630913 4.594678 4.560112 4.527069 4.49542 4.473874 4.451198 4.427267 4.401932 4.375021 4.346323 4.315583 4.28249 4.246652 4.207573 4.164608 4.116897 4.063261 4.002016 3.930641 3.845108 3.738374 3.59634 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.74313e-10 6.291315e-10 6.011299e-10 5.807851999999999e-10 5.647967e-10 5.51624e-10 5.404222e-10 5.306777000000001e-10 5.220544e-10 5.143209e-10 5.073105e-10 5.008994999999999e-10 4.949934e-10 4.895185e-10 4.844161e-10 4.796387e-10 4.751473e-10 4.709097e-10 4.668987e-10 4.630913e-10 4.5946780000000004e-10 4.5601120000000003e-10 4.5270690000000003e-10 4.4954200000000005e-10 4.4738740000000004e-10 4.451198e-10 4.4272669999999996e-10 4.4019320000000004e-10 4.3750210000000004e-10 4.346323e-10 4.3155830000000003e-10 4.2824900000000004e-10 4.246652e-10 4.207573e-10 4.164608e-10 4.116897e-10 4.063261e-10 4.002016e-10 3.930641e-10 3.8451080000000005e-10 3.738374e-10 3.59634e-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" [ 0.35595 0.520935 0.611245 0.684723 0.759983 0.850673 0.947917 1.03914 1.11665 1.17776 1.22547 1.26553 1.30259 1.33864 1.37291 1.40407 1.43165 1.45554 1.47557 1.49148 1.50322 1.51103 1.51532 1.51662 1.51605 1.51427 1.51122 1.50679 1.50091 1.49339 1.48397 1.47203 1.4563 1.43426 1.40171 1.35261 1.27843 1.1671 1.00019 0.741911 0.323191 -0.430242 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.7029476817376e-20 8.346298779564481e-20 9.793224485808961e-20 1.0970471823240384e-19 1.2176269948054465e-19 1.3629283925457986e-19 1.5187304558588736e-19 1.664885813738112e-19 1.78907052361632e-19 1.886979536913408e-19 1.9634193834917762e-19 2.0276025789210242e-19 2.086979244487872e-19 2.1447377116677123e-19 2.1996443044625285e-19 2.249568127966656e-19 2.2937561591683205e-19 2.332032158639232e-19 2.3641237563538564e-19 2.389614386390784e-19 2.408423939918976e-19 2.420936939327424e-19 2.427810277030656e-19 2.429893106637696e-19 2.42897986596384e-19 2.426127991578816e-19 2.421241352885376e-19 2.4141437104552323e-19 2.404722911924928e-19 2.3926745437365123e-19 2.377582039968576e-19 2.358452051116224e-19 2.33324981287104e-19 2.297937840148608e-19 2.245786991141568e-19 2.1671201190602882e-19 2.0482706573293441e-19 1.86990033413568e-19 1.602481034357952e-19 1.1886724589143489e-19 5.1780906425297286e-20 -6.893236736862336e-20 ] } }