{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.076479 -5.9975345 2.6798352 ] [ 4.604896 -4.0869581 -4.7876336 ] [ 7.0055115 -15.0841316 7.5659297 ] [ 6.7650335 8.9960859 0.8744591 ] [ -7.3270571 4.605259 -18.1712542 ] [ 3.426465 0.1291195 9.8815323 ] [ -3.3983698 11.4381597 1.9571317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.774647569458217e-08 -9.609109558341418e-09 4.293569305036892e-09 ] [ 7.377856712415436e-09 -6.54802871800919e-09 -7.670634622876539e-09 ] [ 1.122406674204554e-08 -2.41674429945905e-08 1.212195567995636e-08 ] [ 1.08387785126288e-08 1.441331850768853e-08 1.401037925865809e-09 ] [ -1.173923958488665e-08 7.378438302528787e-09 -2.911355864985381e-08 ] [ 5.489802114989472e-09 2.068722441893856e-10 1.583196002874005e-08 ] [ -5.444788642392772e-09 1.832595205631674e-08 3.135670653566559e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.841371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.096108467041912e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4605189 2.1810374 2.6932527 ] [ 6.0835857 2.1234126 2.0240637 ] [ 4.5332285 1.3071637 3.5927664 ] [ 5.1585197 4.2191565 1.5048253 ] [ 2.7380805 3.9476588 0.9464729 ] [ 4.4458953 3.1029243 5.1629314 ] [ 3.4770803 4.4671017 3.4286706 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4605189e-10 2.1810374e-10 2.6932527e-10 ] [ 6.083585700000001e-10 2.1234126e-10 2.0240637e-10 ] [ 4.5332285e-10 1.3071637e-10 3.5927664e-10 ] [ 5.1585197e-10 4.2191565e-10 1.5048253e-10 ] [ 2.7380805e-10 3.9476588e-10 9.464729e-11 ] [ 4.4458953e-10 3.1029243e-10 5.1629314e-10 ] [ 3.4770803e-10 4.4671017e-10 3.4286706e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 -4.5e-06 3.4e-06 ] [ -4.4e-06 9.1e-06 -2.2e-06 ] [ -3.9e-06 -9.1e-06 4.3e-06 ] [ 6.8e-06 2.1e-06 -4.8e-06 ] [ 4.3e-06 -7.6e-06 6.2e-06 ] [ -6.3e-06 -2.7e-06 -1.29e-05 ] [ 2.6e-06 1.27e-05 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 -7.2097947936e-15 5.44740051072e-15 ] [ -7.04957713152e-15 1.457980724928e-14 -3.52478856576e-15 ] [ -6.24848882112e-15 -1.457980724928e-14 6.889359469440001e-15 ] [ 1.089480102144e-14 3.36457090368e-15 -7.69044777984e-15 ] [ 6.889359469440001e-15 -1.217654231808e-14 9.93349504896e-15 ] [ -1.009371271104e-14 -4.32587687616e-15 -2.066807840832e-14 ] [ 4.16565921408e-15 2.034764308416e-14 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.639711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.826193256186859e-18 } }