{ "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" [ [ 0.7446066 0.1944515 0.1494579 ] [ 0.9752316 0.2958523 2.14555 ] [ 1.483774 1.800686 1.444998 ] [ 2.76885 0.9073334 0.4143235 ] [ 2.782831 0.444621 2.68949 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.446066e-11 1.944515e-11 1.494579e-11 ] [ 9.752316e-11 2.958523e-11 2.14555e-10 ] [ 1.483774e-10 1.800686e-10 1.444998e-10 ] [ 2.76885e-10 9.073334e-11 4.143235000000001e-11 ] [ 2.782831e-10 4.44621e-11 2.68949e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6484119 -2.9635523 -8.2515571 ] [ -20.2864234 -23.991561 13.7094471 ] [ -1.5113228 32.4115463 -2.2957452 ] [ 11.8934049 -5.8229314 -7.3952106 ] [ 13.5527531 0.3664984 4.2330658 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.845400297387544e-09 -4.748134248696958e-09 -1.32204519797368e-08 ] [ -3.250243355891083e-08 -3.843871844738567e-08 2.196495580867906e-08 ] [ -2.421406076591455e-09 5.192902215366915e-08 -3.678189317057656e-09 ] [ 1.90553354294811e-08 -9.329364630464907e-09 -1.184843362682912e-08 ] [ 2.171390434319107e-08 5.871951728783856e-10 6.782119114944517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8032013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.570646006125842e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6603311 0.3516937 -0.0027217 ] [ 0.7770192 -0.0368416 2.2823056 ] [ 1.4408174 2.0059468 1.4817841 ] [ 2.9290937 0.6540941 0.3809076 ] [ 2.9480319 0.6680513 2.7015439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.603311e-11 3.516937e-11 -2.7217e-13 ] [ 7.770192000000001e-11 -3.68416e-12 2.2823056e-10 ] [ 1.4408174e-10 2.0059468e-10 1.4817841e-10 ] [ 2.9290937e-10 6.540941e-11 3.809076e-11 ] [ 2.948031900000001e-10 6.680513e-11 2.7015439e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.94e-05 5.64e-05 2.8e-06 ] [ -8.99e-05 -4.73e-05 9.55e-05 ] [ -6.75e-05 -1.28e-05 6.68e-05 ] [ 0.000278 -6.08e-05 -0.0002131 ] [ -4.12e-05 6.46e-05 4.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.272128247396e-13 9.03627621576e-14 4.486094575199999e-15 ] [ -1.440356793966e-13 -7.578295478819998e-14 1.53007868547e-13 ] [ -1.08146922795e-13 -2.05078609152e-14 1.070253991512e-13 ] [ 4.454051042519999e-13 -9.741233934719999e-14 -3.414238407054e-13 ] [ -6.600967732079998e-14 1.035006105564e-13 7.690447843199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }