{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2590409 -1.2777367 -0.5585202 ] [ 0.5041397 -1.0234898 -0.2555367 ] [ -0.6244447 0.9884996 0.5024456 ] [ 0.0557178 0.6170434 -0.7857501 ] [ 0.1704088 0.4171586 1.0923393 ] [ 0.0189422 -0.7058422 -0.0337505 ] [ 1.1342772 0.9843671 0.0387725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.017205894610991e-09 -2.047159868278143e-09 -8.948480066845402e-10 ] [ 8.077208409571257e-10 -1.639811429187268e-09 -4.094149264963834e-10 ] [ -1.00047069932247e-09 1.583750948790152e-09 8.050065935438286e-10 ] [ 8.926975652241024e-11 9.886125094989428e-10 -1.258910440011262e-09 ] [ 2.73024995338583e-10 6.683617560856589e-10 1.750120488441037e-09 ] [ 3.034874998651776e-11 -1.130883870814038e-09 -5.40742620403104e-11 ] [ 1.817312411346486e-09 1.577129953904696e-09 6.2120393029968e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -20.15291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.228852124308653e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4721601 1.7792825 3.5524031 ] [ 2.9816988 3.428111 1.8183962 ] [ 5.3078079 0.9534148 1.8745703 ] [ 5.3728486 3.3339754 1.8225073 ] [ 2.9946225 1.0871852 1.3220427 ] [ 4.6834992 1.1032911 4.168428 ] [ 4.230047 3.4400154 3.9223256 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4721601e-10 1.7792825e-10 3.5524031e-10 ] [ 2.9816988e-10 3.428111e-10 1.8183962e-10 ] [ 5.3078079e-10 9.534148e-11 1.8745703e-10 ] [ 5.372848600000001e-10 3.3339754e-10 1.8225073e-10 ] [ 2.9946225e-10 1.0871852e-10 1.3220427e-10 ] [ 4.6834992e-10 1.1032911e-10 4.168428e-10 ] [ 4.230047e-10 3.4400154e-10 3.9223256e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 1.1e-06 -1.02e-05 ] [ 4.4e-06 -1.3e-06 3e-06 ] [ -7e-06 3.5e-06 1.8e-06 ] [ -7.8e-06 -2.5e-06 6.4e-06 ] [ -4.1e-06 -1.9e-06 -1.5e-06 ] [ 1.4e-06 -2.3e-06 4.5e-06 ] [ -6e-07 3.4e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.178960204288e-14 1.76239428288e-15 -1.634220153216e-14 ] [ 7.04957713152e-15 -2.08282960704e-15 4.8065298624e-15 ] [ -1.12152363456e-14 5.6076181728e-15 2.88391791744e-15 ] [ -1.249697764224e-14 -4.005441552e-15 1.025393037312e-14 ] [ -6.568924145279999e-15 -3.04413557952e-15 -2.4032649312e-15 ] [ 2.24304726912e-15 -3.68500622784e-15 7.2097947936e-15 ] [ -9.6130597248e-16 5.44740051072e-15 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }