{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1557865 -1.5389408 -0.3642051 ] [ 0.0147434 -0.5359599 -0.0181532 ] [ -2.9672966 1.9263545 2.092155 ] [ -1.4215415 1.6918316 -0.4654496 ] [ 0.6427324 1.2071438 0.4910734 ] [ 1.2095571 -2.0845222 -3.8240835 ] [ 2.3660187 -0.6659071 2.088663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.495974881362592e-10 -2.465654970555248e-09 -5.835208963961261e-10 ] [ 2.362153079110272e-11 -8.58702421466306e-10 -2.908463263270656e-11 ] [ -4.75413323949933e-09 3.086360143272874e-09 3.352001828089824e-09 ] [ -2.277560556796963e-09 2.710613035850657e-09 -7.457324672807117e-10 ] [ 1.029770824710674e-09 1.934057574303671e-09 7.867863205767668e-10 ] [ 1.937924107142648e-09 -3.339772734378582e-09 -6.126857179687037e-09 ] [ 3.790779845515609e-09 -1.066900787244728e-09 3.34640702732999e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.706931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.157398411591877e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7548694 2.1773126 3.4907218 ] [ 1.6539551 3.3469655 1.490012 ] [ 2.7396984 4.8249388 3.2816085 ] [ 0.6698033 3.5475125 3.7443295 ] [ 5.0929482 1.5270617 2.8584349 ] [ 4.1518037 3.4612273 1.6322048 ] [ 4.7770151 3.6287716 4.1129285 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7548694e-10 2.1773126e-10 3.490721800000001e-10 ] [ 1.6539551e-10 3.3469655e-10 1.490012e-10 ] [ 2.7396984e-10 4.8249388e-10 3.2816085e-10 ] [ 6.698033000000001e-11 3.5475125e-10 3.7443295e-10 ] [ 5.092948200000001e-10 1.5270617e-10 2.8584349e-10 ] [ 4.151803700000001e-10 3.4612273e-10 1.6322048e-10 ] [ 4.7770151e-10 3.6287716e-10 4.1129285e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-05 -1.56e-05 1.4e-06 ] [ -1.05e-05 5.67e-05 -1.06e-05 ] [ 8.2e-06 3.1e-06 -3.18e-05 ] [ -4e-06 -3.26e-05 3.83e-05 ] [ 3.65e-05 -2.57e-05 2.23e-05 ] [ 6e-06 -8e-06 -5.7e-05 ] [ -6.1e-06 2.21e-05 3.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-14 -2.499395528448e-14 2.24304726912e-15 ] [ -1.68228545184e-14 9.084341439936e-14 -1.698307218048e-14 ] [ 1.313784829056e-14 4.96674752448e-15 -5.094921654144e-14 ] [ -6.4087064832e-15 -5.223095783807999e-14 6.136336457664001e-14 ] [ 5.84794466592e-14 -4.117593915456e-14 3.572853864384e-14 ] [ 9.6130597248e-15 -1.28174129664e-14 -9.13240673856e-14 ] [ -9.77327738688e-15 3.540810331968e-14 5.976118795584e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.591022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.459263066757846e-18 } }