{ "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" [ [ 1.84187 2.347102 1.383115 ] [ 2.042679 1.03426 3.627522 ] [ 0.9834518 3.478775 3.226301 ] [ 4.103178 1.51668 2.106844 ] [ 3.482715 3.397853 2.716774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84187e-10 2.347102e-10 1.383115e-10 ] [ 2.042679e-10 1.03426e-10 3.627522e-10 ] [ 9.834518e-11 3.478775e-10 3.226301e-10 ] [ 4.103178e-10 1.51668e-10 2.106844e-10 ] [ 3.482715e-10 3.397853e-10 2.716774e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0192153 -0.718467 -0.287378 ] [ 0.1593586 0.8288844 -0.6009081 ] [ 0.1455537 -0.3775686 0.3015018 ] [ 0.9027442 -4.7896823 -1.4328408 ] [ -1.1884412 5.0568335 2.0196251 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.078630442165824e-11 -1.151111030216314e-09 -4.604303129322624e-10 ] [ 2.553206232434189e-10 1.328019207025835e-09 -9.627609090693484e-10 ] [ 2.33202735210937e-10 -6.049315836681868e-10 4.830591350891174e-10 ] [ 1.446355651802799e-09 -7.673917002119572e-09 -2.295664031088369e-09 ] [ -1.904092705835497e-09 8.101940408978236e-09 3.235796118000862e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.725668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.71844145120627e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8245951 2.2485786 1.1584321 ] [ 1.975442 1.0022356 3.641204 ] [ 1.3001764 3.2287874 3.250321 ] [ 3.8071772 1.5041805 2.2338489 ] [ 3.5465031 3.7908879 2.77675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8245951e-10 2.2485786e-10 1.1584321e-10 ] [ 1.975442e-10 1.0022356e-10 3.641204e-10 ] [ 1.3001764e-10 3.2287874e-10 3.250321e-10 ] [ 3.8071772e-10 1.5041805e-10 2.2338489e-10 ] [ 3.5465031e-10 3.7908879e-10 2.77675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0544921 -0.0503229 -0.1543439 ] [ 0.0616763 -0.0182873 0.0926208 ] [ 0.0744809 -0.0053658 -0.0550101 ] [ -0.1234512 0.096081 -0.0001077 ] [ 0.0417861 -0.022105 0.1168409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.730596863829568e-11 -8.062617387085632e-11 -2.472861881430931e-10 ] [ 9.881632591744705e-11 -2.929948451755584e-11 1.483948803597926e-10 ] [ 1.193315566761427e-10 -8.596959311888641e-12 -8.813589612787008e-11 ] [ -1.97790626449705e-10 1.539387319030848e-10 -1.7255442206016e-13 ] [ 6.694871249441087e-11 -3.5416114202784e-11 1.871997583332307e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.86672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.221693459117978e-18 } }