{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3225109 1.6165913 3.7262947 ] [ 1.3206301 1.4766355 -1.1783721 ] [ -2.2830049 -0.5101883 -2.1489778 ] [ 5.4320598 -15.5334745 -5.2148438 ] [ -0.6766037 -2.710084 1.6139578 ] [ -4.688053 17.5579452 3.1017849 ] [ -0.427539 -1.8974252 0.1001563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.118896044733167e-09 2.590064786248679e-09 5.970182250550949e-09 ] [ 2.115882670944766e-09 2.365830875543318e-09 -1.887960229223e-09 ] [ -3.657777075951842e-09 -8.174117664656967e-10 -3.443041989778218e-09 ] [ 8.703119214347524e-09 -2.488736968369297e-08 -8.35510081748383e-09 ] [ -1.084038629686777e-09 -4.342033225204147e-09 2.585845454117802e-09 ] [ -7.511088913671302e-09 2.813092930872758e-08 4.969607249530466e-09 ] [ -6.849929902802113e-10 -3.040010295156764e-09 1.60468082285831e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.323742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.057310738357104e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.895323 1.7228658 1.0107239 ] [ 3.1800929 0.9282236 2.7742278 ] [ 2.124541 3.1462745 2.9239382 ] [ 5.0447155 2.2253939 2.0787641 ] [ 4.0548962 2.5027221 4.2449119 ] [ 4.2329151 4.3442694 2.8534922 ] [ 3.4251463 3.4631576 0.8589016 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.895323e-10 1.7228658e-10 1.0107239e-10 ] [ 3.1800929e-10 9.282236e-11 2.7742278e-10 ] [ 2.124541e-10 3.1462745e-10 2.9239382e-10 ] [ 5.0447155e-10 2.2253939e-10 2.0787641e-10 ] [ 4.0548962e-10 2.5027221e-10 4.2449119e-10 ] [ 4.2329151e-10 4.3442694e-10 2.8534922e-10 ] [ 3.4251463e-10 3.4631576e-10 8.589016e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.69e-05 -7.1e-06 1.79e-05 ] [ 3.48e-05 1.89e-05 -1e-05 ] [ 4.05e-05 -1.6e-05 -2.14e-05 ] [ -7.01e-05 1.4e-06 4.5e-06 ] [ -1.36e-05 9.9e-06 -1.04e-05 ] [ -7.4e-06 -1.72e-05 -2.8e-06 ] [ 3.27e-05 1.01e-05 2.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.707678489152e-14 -1.137545400768e-14 2.867896151232001e-14 ] [ 5.575574640383999e-14 3.028113813312e-14 -1.6021766208e-14 ] [ 6.488815314240001e-14 -2.56348259328e-14 -3.428657968511999e-14 ] [ -1.1231258111808e-13 2.24304726912e-15 7.2097947936e-15 ] [ -2.178960204288e-14 1.586154854592e-14 -1.666263685632e-14 ] [ -1.185610699392e-14 -2.755743787776e-14 -4.48609453824e-15 ] [ 5.239117550016001e-14 1.618198387008e-14 3.540810331968e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497168915979e-18 } }