{ "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" [ [ -7.312321 -4.0112199 1.0527875 ] [ 3.3666602 -2.639656 -3.1764782 ] [ 2.4796984 -7.2769384 2.5470138 ] [ 3.8035877 5.7707773 1.0550719 ] [ -2.983795 0.1247043 -8.0759344 ] [ 2.974635 0.3500816 5.3584624 ] [ -2.3284653 7.6822511 1.239077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.171562974998488e-08 -6.426682744667715e-09 1.68675151917048e-09 ] [ 5.393984262617852e-09 -4.229195130154445e-09 -5.089279108520867e-09 ] [ 3.972914803115167e-09 -1.165894057548176e-08 4.080765963214968e-09 ] [ 6.094019288102445e-09 9.245804473903348e-09 1.690411531443035e-09 ] [ -4.780566590259936e-09 1.997983139732295e-10 -1.293907328679447e-08 ] [ 4.765890652413408e-09 5.608925548922574e-10 8.585203180715858e-09 ] [ -3.730612666004058e-09 1.230832310753508e-08 1.985220200771001e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.325747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.615673016049574e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3969845 2.4368659 2.6932841 ] [ 5.5491583 2.1269257 1.6311382 ] [ 4.3569926 1.3896908 3.5192851 ] [ 5.0123321 4.3876104 2.3626304 ] [ 3.5856367 3.175978 0.8036575 ] [ 4.9796675 3.3911705 4.5852284 ] [ 3.0161373 4.4402138 3.7577593 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3969845e-10 2.4368659e-10 2.6932841e-10 ] [ 5.5491583e-10 2.1269257e-10 1.6311382e-10 ] [ 4.3569926e-10 1.3896908e-10 3.5192851e-10 ] [ 5.012332100000001e-10 4.3876104e-10 2.3626304e-10 ] [ 3.5856367e-10 3.175978e-10 8.036575e-11 ] [ 4.9796675e-10 3.3911705e-10 4.5852284e-10 ] [ 3.0161373e-10 4.440213800000001e-10 3.7577593e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.64e-05 -3.98e-05 -1.8e-06 ] [ -5.8e-06 3.69e-05 9e-07 ] [ -1.7e-06 2.49e-05 1e-06 ] [ 1.4e-05 -5.6e-06 -1.96e-05 ] [ -6.8e-06 -1.16e-05 -1.91e-05 ] [ 2.2e-06 -2.87e-05 4.51e-05 ] [ 2.46e-05 2.39e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.229746278912e-14 -6.376662950784e-14 -2.88391791744e-15 ] [ -9.292624400640001e-15 5.912031730752001e-14 1.44195895872e-15 ] [ -2.72370025536e-15 3.989419785791999e-14 1.6021766208e-15 ] [ 2.24304726912e-14 -8.972189076479999e-15 -3.140266176767999e-14 ] [ -1.089480102144e-14 -1.858524880128e-14 -3.060157345728e-14 ] [ 3.52478856576e-15 -4.598246901696e-14 7.225816559807999e-14 ] [ 3.941354487168e-14 3.829202123712e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }