{ "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" [ [ 1.569029 2.409456 2.459016 ] [ 1.280031 0.1374919 2.779238 ] [ 3.588101 1.133333 2.932926 ] [ 4.931515 2.722575 2.426382 ] [ 3.330231 3.38172 3.93095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.569029e-10 2.409456e-10 2.459016e-10 ] [ 1.280031e-10 1.374919e-11 2.779238e-10 ] [ 3.588101e-10 1.133333e-10 2.932926e-10 ] [ 4.931515000000001e-10 2.722575e-10 2.426382e-10 ] [ 3.330231e-10 3.38172e-10 3.93095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.058757 0.9980053 0.3702242 ] [ 0.5198767 -0.2444169 0.0215047 ] [ -2.5925202 -3.5610789 0.9411764 ] [ 3.1482803 2.6135091 -1.487064 ] [ -1.1343938 0.1939814 0.1541587 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.41390917083456e-11 1.59898075909449e-09 5.931645576943833e-10 ] [ 8.329342944386553e-10 -3.915990429084115e-10 3.445432757731776e-11 ] [ -4.15367525339174e-09 -5.705477358404182e-09 1.507930824128709e-09 ] [ 5.044101092385211e-09 4.187303178268049e-09 -2.382539174433331e-09 ] [ -1.817499225140471e-09 3.107924639500531e-10 2.46989465032921e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.785074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.048394665799794e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6198163 2.4513307 2.5324994 ] [ 1.637545 0.1939579 3.2716207 ] [ 3.420034 0.99466 1.9210825 ] [ 4.8849925 2.3649215 3.1047228 ] [ 3.1365192 3.7797057 3.6985865 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6198163e-10 2.4513307e-10 2.5324994e-10 ] [ 1.637545e-10 1.939579e-11 3.2716207e-10 ] [ 3.420034e-10 9.9466e-11 1.9210825e-10 ] [ 4.8849925e-10 2.3649215e-10 3.1047228e-10 ] [ 3.1365192e-10 3.7797057e-10 3.6985865e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.3e-06 3.18e-05 2.96e-05 ] [ 7.2e-06 1.43e-05 2.8e-06 ] [ 4.14e-05 6.7e-06 0.0 ] [ -1.89e-05 -2.2e-05 -5.2e-06 ] [ -2.35e-05 -3.09e-05 -2.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.009371271104e-14 5.094921654144e-14 4.742442797568e-14 ] [ 1.153567166976e-14 2.291112567744e-14 4.48609453824e-15 ] [ 6.633011210111999e-14 1.073458335936e-14 0.0 ] [ -3.028113813312e-14 -3.52478856576e-14 -8.33131842816e-15 ] [ -3.76511505888e-14 -4.950725758272e-14 -4.373942174784e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.846295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.218421013369993e-18 } }