{ "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" [ [ 1.697876 3.711698 1.143091 ] [ 3.423522 2.241155 2.183353 ] [ 3.951754 3.941629 0.5726112 ] [ 3.96365 5.193256 2.218192 ] [ 5.084028 3.36384 3.521791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.697876e-10 3.711698e-10 1.143091e-10 ] [ 3.423522e-10 2.241155e-10 2.183353e-10 ] [ 3.951754000000001e-10 3.941629e-10 5.726112e-11 ] [ 3.96365e-10 5.193256e-10 2.218192e-10 ] [ 5.084028e-10 3.36384e-10 3.521791e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4332599 0.5802913 0.9951536 ] [ -0.2191211 0.4805272 0.4086016 ] [ 1.5171851 -2.5983881 -4.0323507 ] [ -0.9660024 0.6007837 3.9897128 ] [ -0.7653215 0.9367859 -1.3611173 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.941588825101458e-10 9.29729154113639e-10 1.594411832024955e-09 ] [ -3.510707035439789e-10 7.698894454984857e-10 6.546519307414732e-10 ] [ 2.43079849664611e-09 -4.163076665584932e-09 -6.460538018406515e-09 ] [ -1.54770646091669e-09 9.625615982977212e-10 6.392224571866506e-09 ] [ -1.226180214695587e-09 1.500896467675087e-09 -2.18075031622642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.207058 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.116003955714961e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8869763 3.9224621 0.9838615 ] [ 3.1396096 2.3872312 2.4990678 ] [ 4.343879 3.711122 0.6084374 ] [ 3.3890204 4.9725952 2.6758903 ] [ 5.3613446 3.4581674 2.8717812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8869763e-10 3.9224621e-10 9.838615000000001e-11 ] [ 3.1396096e-10 2.3872312e-10 2.4990678e-10 ] [ 4.343879e-10 3.711122e-10 6.084374000000001e-11 ] [ 3.3890204e-10 4.9725952e-10 2.6758903e-10 ] [ 5.3613446e-10 3.4581674e-10 2.8717812e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.47e-05 1.25e-05 -0.0001043 ] [ 1.61e-05 -1.97e-05 8.87e-05 ] [ 3.7e-06 2.2e-06 -5.93e-05 ] [ 1.68e-05 2.4e-06 9.01e-05 ] [ -2e-06 2.4e-06 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.559552874176001e-14 2.002720776e-14 -1.6710702154944e-13 ] [ 2.579504359488e-14 -3.156287942976e-14 1.4211306626496e-13 ] [ 5.928053496960001e-15 3.52478856576e-15 -9.500907361344e-14 ] [ 2.691656722944e-14 3.84522388992e-15 1.4435611353408e-13 ] [ -3.2043532416e-15 3.84522388992e-15 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }