{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.4860207 8.7548534 -67.5827357 ] [ -24.2033566 -28.0499103 62.3540652 ] [ -4.4758839 6.12702 -83.4070949 ] [ 92.5139134 -21.2056903 54.4329318 ] [ -77.3206936 34.3737271 34.2028336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.160698707316485e-08 1.402682143601139e-08 -1.082794791082455e-07 ] [ -3.877805208940537e-08 -4.494091049819711e-08 9.990222547527888e-08 ] [ -7.171156541995125e-09 9.816568199174016e-09 -1.336328974576269e-07 ] [ 1.482236291481958e-07 -3.397526122658534e-08 8.721117073156087e-08 ] [ -1.238814075899602e-07 5.507278192937939e-08 5.47989803590327e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 63.210882 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.012749973205476e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7162977 1.2795045 0.8604755 ] [ 0.1110594 0.2340045 3.0403595 ] [ 2.8935999 1.9183553 0.143826 ] [ 3.3806302 2.9824436 2.1886551 ] [ 1.2515617 2.4489507 3.1077928 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.162977000000001e-11 1.2795045e-10 8.604755e-11 ] [ 1.110594e-11 2.340045e-11 3.0403595e-10 ] [ 2.8935999e-10 1.9183553e-10 1.43826e-11 ] [ 3.3806302e-10 2.9824436e-10 2.1886551e-10 ] [ 1.2515617e-10 2.4489507e-10 3.1077928e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 -9.3e-06 -3.6e-06 ] [ 1.8e-06 4.5e-06 -1.4e-06 ] [ -4.5e-06 4.1e-06 4.3e-06 ] [ 6.8e-06 1e-06 4.5e-06 ] [ 1.8e-06 -4e-07 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.45284206272e-15 -1.490024257344e-14 -5.76783583488e-15 ] [ 2.88391791744e-15 7.2097947936e-15 -2.24304726912e-15 ] [ -7.2097947936e-15 6.568924145279999e-15 6.889359469440001e-15 ] [ 1.089480102144e-14 1.6021766208e-15 7.2097947936e-15 ] [ 2.88391791744e-15 -6.408706483200001e-16 -5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726376078172e-18 } }