{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4781762 -5.8907036 13.1683843 ] [ -2.3854219 3.7170751 0.1636183 ] [ -9.4381494 4.4703647 -13.2905838 ] [ 8.6641462 -16.1190925 -9.771651 ] [ 4.5243144 -5.1782093 12.5595621 ] [ 4.5898783 9.2678138 -9.0023071 ] [ 9.5234086 9.7327519 6.1729771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.479877204026299e-08 -9.437947587982396e-09 2.109807745916977e-08 ] [ -3.821867198924315e-09 5.955410822977822e-09 2.621454149950407e-10 ] [ -1.512158231229755e-08 7.162313808789606e-09 -2.129386264114322e-08 ] [ 1.388149248083316e-08 -2.582563315201263e-08 -1.565591077881694e-08 ] [ 7.248750756828779e-09 -8.296405878069133e-09 2.012263676410576e-08 ] [ 7.353795704577248e-09 1.484867459628761e-08 -1.442328596888185e-08 ] [ 1.525818260924566e-08 1.559358755022678e-08 9.890199590353784e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.3685899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.60142922444301e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5570467 3.1779554 4.7540435 ] [ 1.6877762 3.9879875 2.7059739 ] [ 3.4124545 3.5630408 1.1443947 ] [ 4.3226825 1.553084 1.9933015 ] [ 4.7018403 2.3615012 4.1823138 ] [ 5.1114339 5.1125543 1.6976545 ] [ 5.9806849 4.3025248 3.745733 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5570467e-10 3.1779554e-10 4.7540435e-10 ] [ 1.6877762e-10 3.9879875e-10 2.7059739e-10 ] [ 3.4124545e-10 3.5630408e-10 1.1443947e-10 ] [ 4.3226825e-10 1.553084e-10 1.9933015e-10 ] [ 4.7018403e-10 2.3615012e-10 4.182313800000001e-10 ] [ 5.1114339e-10 5.112554300000001e-10 1.6976545e-10 ] [ 5.9806849e-10 4.3025248e-10 3.745733e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.89e-05 -3.8e-06 1.43e-05 ] [ 3.33e-05 7.8e-06 -2.4e-06 ] [ 2.8e-06 -3.15e-05 -2.3e-06 ] [ -4.6e-06 1.49e-05 -9.8e-06 ] [ 3.9e-06 9.5e-06 1.3e-06 ] [ -1.7e-05 1.44e-05 9.7e-06 ] [ 1.04e-05 -1.13e-05 -1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.630290434112001e-14 -6.08827115904e-15 2.291112567744e-14 ] [ 5.335248147264001e-14 1.249697764224e-14 -3.84522388992e-15 ] [ 4.48609453824e-15 -5.04685635552e-14 -3.68500622784e-15 ] [ -7.370012455680001e-15 2.387243164992e-14 -1.570133088384e-14 ] [ 6.24848882112e-15 1.52206778976e-14 2.08282960704e-15 ] [ -2.72370025536e-14 2.307134333952e-14 1.554111322176e-14 ] [ 1.666263685632e-14 -1.810459581504e-14 -1.730350750464e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }