{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3816117 2.148684 2.733224 ] [ 2.712897 0.4244761 0.4772031 ] [ 2.541656 0.3986681 2.603311 ] [ 2.733268 2.696855 1.756122 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.816117e-11 2.148684e-10 2.733224e-10 ] [ 2.712897e-10 4.244761e-11 4.772031e-11 ] [ 2.541656e-10 3.986681000000001e-11 2.603311e-10 ] [ 2.733268e-10 2.696855e-10 1.756122e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.336919 -2.2498415 0.4463593 ] [ 1.6576864 0.1141532 -18.9088803 ] [ -4.4753783 -2.5936545 20.5662526 ] [ 1.4807728 4.7293428 -2.1037316 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.141980383350646e-09 -3.604643481503511e-09 7.151464408285961e-10 ] [ 2.655906416579577e-09 1.828935897363288e-10 -3.029536619176291e-08 ] [ -7.170346540570641e-09 -4.155492636568952e-09 3.295076936466174e-08 ] [ 2.372459580422755e-09 7.577242528336136e-09 -3.370549613727434e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4525528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.354248259381127e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5486 2.2385045 3.0781813 ] [ 3.1155184 0.4624493 0.309635 ] [ 2.1859665 0.2631457 2.7195755 ] [ 2.5193478 2.7045837 1.4624683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.486e-11 2.2385045e-10 3.0781813e-10 ] [ 3.1155184e-10 4.624493e-11 3.09635e-11 ] [ 2.1859665e-10 2.631457e-11 2.7195755e-10 ] [ 2.5193478e-10 2.7045837e-10 1.4624683e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 -2.4e-06 1e-06 ] [ 1.1e-06 3.1e-06 -7e-06 ] [ -2.5e-06 5.3e-06 6.5e-06 ] [ 3.9e-06 -6e-06 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.845223921599999e-15 -3.845223921599999e-15 1.602176634e-15 ] [ 1.7623942974e-15 4.9667475654e-15 -1.1215236438e-14 ] [ -4.005441585e-15 8.4915361602e-15 1.0414148121e-14 ] [ 6.248488872599999e-15 -9.613059803999999e-15 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.069862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933805087200451e-18 } }