{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.941384 3.398999 4.495714 ] [ 5.079285 2.89491 3.814281 ] [ 5.144035 3.811985 1.647129 ] [ 3.115427 4.213177 2.153983 ] [ 4.243195 5.045313 3.693161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.941384e-10 3.398999e-10 4.495714000000001e-10 ] [ 5.079285e-10 2.89491e-10 3.814281e-10 ] [ 5.144035e-10 3.811985e-10 1.647129e-10 ] [ 3.115427e-10 4.213177e-10 2.153983e-10 ] [ 4.243195e-10 5.045313e-10 3.693161e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5702997 -7.5461053 8.3408556 ] [ 12.886924 -11.9254651 2.1438087 ] [ 16.7423417 -3.4670517 -9.5020644 ] [ -28.2442541 -3.5877967 -14.1058104 ] [ 14.1852882 26.5264189 13.1232105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.494637015818926e-08 -1.209019348975497e-08 1.336352383978876e-08 ] [ 2.064712834682642e-08 -1.910670137538634e-08 3.434760178607641e-09 ] [ 2.682418844918493e-08 -5.554829176844895e-09 -1.522398543101598e-08 ] [ -4.525228359095455e-08 -5.748283992923392e-09 -2.25999996403175e-08 ] [ 2.272733711335011e-08 4.250000819512725e-08 2.102570105293708e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4545441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.534789792542577e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8149661 3.2471946 4.3887886 ] [ 5.3441712 2.7387404 4.0210217 ] [ 5.2024815 3.7636668 1.6293503 ] [ 2.6732818 4.2721306 1.9971237 ] [ 4.4884253 5.3426515 3.7679837 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8149661e-10 3.2471946e-10 4.3887886e-10 ] [ 5.3441712e-10 2.7387404e-10 4.0210217e-10 ] [ 5.202481500000001e-10 3.7636668e-10 1.6293503e-10 ] [ 2.6732818e-10 4.2721306e-10 1.9971237e-10 ] [ 4.4884253e-10 5.3426515e-10 3.7679837e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 -2.7e-06 2.4e-05 ] [ 2.25e-05 -3.13e-05 2.85e-05 ] [ -1.4e-06 1.79e-05 6.8e-06 ] [ -3.19e-05 2.14e-05 -4.62e-05 ] [ -1.7e-06 -5.3e-06 -1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 -4.32587687616e-15 3.84522388992e-14 ] [ 3.604897396800001e-14 -5.014812823104e-14 4.56620336928e-14 ] [ -2.24304726912e-15 2.867896151232001e-14 1.089480102144e-14 ] [ -5.110943420352001e-14 3.428657968511999e-14 -7.402055988096e-14 ] [ -2.72370025536e-15 -8.491536090240001e-15 -2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072919642317e-18 } }