{ "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" [ [ 1.463501 2.539158 2.160753 ] [ 0.2382428 1.617471 2.877509 ] [ 1.691566 0.7573037 1.355751 ] [ 1.857 2.738979 0.0220673 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.463501e-10 2.539158e-10 2.160753e-10 ] [ 2.382428e-11 1.617471e-10 2.877509e-10 ] [ 1.691566e-10 7.573037e-11 1.355751e-10 ] [ 1.857e-10 2.738979e-10 2.20673e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.4260816 9.8999639 0.7953501 ] [ -7.1968752 -4.3262743 4.4397307 ] [ 1.463027 -5.9256367 -3.0553357 ] [ 0.3077666 0.3519471 -2.1797451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.693541082073056e-09 1.586149070734399e-08 1.274291335570942e-09 ] [ -1.153066518825532e-08 -6.931455538627885e-09 7.113232730188019e-09 ] [ 2.344027654999162e-09 -9.493916584094464e-09 -4.895187427235603e-09 ] [ 4.930964511831053e-10 5.638814153783597e-10 -3.492336638523358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0023527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.282118240733576e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.789215 2.9308745 2.3198541 ] [ 0.0131808 1.423645 2.8077439 ] [ 1.7200856 0.6751532 1.3277889 ] [ 1.7278285 2.623239 -0.0393066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.789215e-10 2.9308745e-10 2.3198541e-10 ] [ 1.31808e-12 1.423645e-10 2.8077439e-10 ] [ 1.7200856e-10 6.751532e-11 1.3277889e-10 ] [ 1.7278285e-10 2.623239e-10 -3.93066e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.49e-05 -3.87e-05 3.4e-06 ] [ 1.74e-05 3.73e-05 -9.9e-06 ] [ 1.94e-05 7e-06 -5.9e-06 ] [ -1.19e-05 -5.6e-06 1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.989419785791999e-14 -6.200423522496e-14 5.44740051072e-15 ] [ 2.787787320192e-14 5.976118795584e-14 -1.586154854592e-14 ] [ 3.108222644352e-14 1.12152363456e-14 -9.45284206272e-15 ] [ -1.906590178752e-14 -8.972189076479999e-15 1.986699009792e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.031003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927579173137467e-18 } }