{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0820749 -1.6542665 -0.9995477 ] [ -19.1378609 -3.4248648 -2.5713427 ] [ 4.4744182 -3.6233325 -4.6394306 ] [ 4.348192 -0.3780085 4.6976347 ] [ 10.6544826 5.4959595 -17.3089826 ] [ 5.742843 3.5845129 20.8216689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.744558210734499e-09 -2.650427110872643e-09 -1.601451956314412e-09 ] [ -3.066223330610245e-08 -5.487238311960868e-09 -4.119745158004749e-09 ] [ 7.168808231722019e-09 -5.805218620884816e-09 -7.433187241144116e-09 ] [ 6.966571565149594e-09 -6.056363811636769e-10 7.526440489398822e-09 ] [ 1.70703629284404e-08 8.805497819763656e-09 -2.7732047251554e-08 ] [ 9.201048791524934e-09 5.743022765336008e-09 3.335999111761845e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3542487 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.169745605888793e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7316263 0.1361057 1.470819 ] [ 0.3253963 2.4466236 1.1430217 ] [ 2.9700006 0.379197 0.4103166 ] [ 2.717526 0.6834128 2.8675059 ] [ 2.563771 2.689715 0.0825207 ] [ 2.3112955 2.9939303 2.5397098 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.316263e-11 1.361057e-11 1.470819e-10 ] [ 3.253963e-11 2.4466236e-10 1.1430217e-10 ] [ 2.9700006e-10 3.79197e-11 4.103166e-11 ] [ 2.717526e-10 6.834128000000001e-11 2.8675059e-10 ] [ 2.563771e-10 2.689715e-10 8.25207e-12 ] [ 2.3112955e-10 2.9939303e-10 2.5397098e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 -3e-06 6e-07 ] [ 3.8e-06 5.5e-06 3e-07 ] [ -2.1e-06 -3.6e-06 2e-06 ] [ -1.8e-06 -6.2e-06 -3e-07 ] [ -3.2e-06 3e-06 -5e-07 ] [ -3.3e-06 4.2e-06 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073458335936e-14 -4.8065298624e-15 9.6130597248e-16 ] [ 6.08827115904e-15 8.8119714144e-15 4.8065298624e-16 ] [ -3.36457090368e-15 -5.76783583488e-15 3.2043532416e-15 ] [ -2.88391791744e-15 -9.93349504896e-15 -4.8065298624e-16 ] [ -5.126965186560001e-15 4.8065298624e-15 -8.010883104e-16 ] [ -5.28718284864e-15 6.72914180736e-15 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.328753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295719306181786e-18 } }