{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0409962 0.6822116 1.595736 ] [ 0.3790876 1.575629 0.6188876 ] [ 0.3154214 2.976467 2.437822 ] [ 1.63698 0.1180447 0.631717 ] [ 1.584423 0.2949968 2.813326 ] [ 2.305753 1.803926 1.00695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.099619999999999e-12 6.822116000000001e-11 1.595736e-10 ] [ 3.790876e-11 1.575629e-10 6.188876e-11 ] [ 3.154214e-11 2.976467e-10 2.437822e-10 ] [ 1.63698e-10 1.180447e-11 6.31717e-11 ] [ 1.584423e-10 2.949968e-11 2.813326e-10 ] [ 2.305753e-10 1.803926e-10 1.00695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -38.2435413 -41.6252168 51.9872216 ] [ -4.19842 57.2727459 -54.8428389 ] [ 0.1137043 1.7124477 1.1646757 ] [ 18.3608251 -27.7818408 -11.5814298 ] [ 7.5644361 -3.5001861 10.124813 ] [ 16.4029958 13.9220501 3.1475584 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.127290776745923e-08 -6.669094919269138e-08 8.329271102786877e-08 ] [ -6.726610368299135e-09 9.176105448999905e-08 -8.78679143038808e-08 ] [ 1.821743711444294e-10 2.743643669282732e-09 1.866016177353875e-09 ] [ 2.941728471381782e-08 -4.451141581254757e-08 -1.855549606099642e-08 ] [ 1.211956266895553e-08 -5.607916337869131e-09 1.622173867857191e-08 ] [ 2.628049638184059e-08 2.23055831838263e-08 5.042944481082655e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.487975 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.161011820693488e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4225601 0.4271915 1.8623002 ] [ 0.3297363 1.9375758 0.1249389 ] [ 0.5214606 2.577959 2.452762 ] [ 1.5660931 -0.0941952 0.5820435 ] [ 1.7578149 0.5461761 2.9098723 ] [ 2.5101163 2.056568 1.1725217 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.225601e-11 4.271915e-11 1.8623002e-10 ] [ 3.297363e-11 1.9375758e-10 1.249389e-11 ] [ 5.214606000000001e-11 2.577959e-10 2.452762e-10 ] [ 1.5660931e-10 -9.41952e-12 5.820435000000001e-11 ] [ 1.7578149e-10 5.461761e-11 2.9098723e-10 ] [ 2.5101163e-10 2.056568e-10 1.1725217e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 -3.5e-06 -1.56e-05 ] [ 5.7e-06 -2e-07 -2e-06 ] [ 8.1e-06 -1.06e-05 1.87e-05 ] [ -4.3e-06 -4.7e-06 1.5e-06 ] [ 3.6e-06 2.18e-05 4.9e-06 ] [ -5.3e-06 -2.6e-06 -7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 -5.6076181728e-15 -2.499395528448e-14 ] [ 9.13240673856e-15 -3.2043532416e-16 -3.2043532416e-15 ] [ 1.297763062848e-14 -1.698307218048e-14 2.996070280896e-14 ] [ -6.889359469440001e-15 -7.53023011776e-15 2.4032649312e-15 ] [ 5.76783583488e-15 3.492745033344e-14 7.850665441919999e-15 ] [ -8.491536090240001e-15 -4.16565921408e-15 -1.2016324656e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.290227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.770199746772493e-18 } }