{ "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" [ [ 0.148581 1.499098 2.912634 ] [ 0.4436014 1.560152 0.6683764 ] [ 2.110053 0.4783189 0.3653162 ] [ 2.063967 1.021193 2.434749 ] [ 2.249538 2.67297 1.348927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.48581e-11 1.499098e-10 2.912634e-10 ] [ 4.436014e-11 1.560152e-10 6.683764e-11 ] [ 2.110053e-10 4.783189e-11 3.653162e-11 ] [ 2.063967e-10 1.021193e-10 2.434749e-10 ] [ 2.249538e-10 2.67297e-10 1.348927e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.675591 0.908121 4.5328493 ] [ -17.3118787 4.6248131 -10.8623081 ] [ 5.9035702 -17.8119419 -10.8465576 ] [ 12.1736827 -9.766167 15.3670147 ] [ 5.9102168 22.0451748 1.8090017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.069547583022289e-08 1.454970235057517e-09 7.262425174069645e-09 ] [ -2.77366873152655e-08 7.409767424389573e-09 -1.740333608574647e-08 ] [ 9.45856215369158e-09 -2.853787688322793e-08 -1.737810100288056e-08 ] [ 1.950438981097742e-08 -1.564712444222847e-08 2.462067168382993e-08 ] [ 9.469211180819389e-09 3.532026366600932e-08 2.898340230727455e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2743663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.246113133795399e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7842705 1.354997 2.0930654 ] [ -0.0218116 0.3034203 0.3367967 ] [ -0.1171015 -0.5132027 -1.7035164 ] [ 2.2549327 2.5058836 3.2650833 ] [ 4.1154502 3.5806338 3.7385735 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.842705e-11 1.354997e-10 2.0930654e-10 ] [ -2.18116e-12 3.034203e-11 3.367967e-11 ] [ -1.171015e-11 -5.132027e-11 -1.7035164e-10 ] [ 2.2549327e-10 2.5058836e-10 3.2650833e-10 ] [ 4.1154502e-10 3.5806338e-10 3.7385735e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4533259 0.3830311 0.4361202 ] [ -0.0510714 -0.054388 -0.0788767 ] [ -0.0272138 -0.0395933 -0.0701238 ] [ -0.406343 -0.3170656 -0.3213836 ] [ 0.0313022 0.0280158 0.0342639 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.263081585831187e-10 6.136834734593069e-10 6.987415882986202e-10 ] [ -8.182540307152512e-11 -8.71391820520704e-11 -1.263744046658554e-10 ] [ -4.360131412312704e-11 -6.343545960032064e-11 -1.12350712921655e-10 ] [ -6.510332546257345e-10 -5.079950915799245e-10 -5.149132902285388e-10 ] [ 5.015165301960576e-11 4.488625977300864e-11 5.489681951742912e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.163379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788570484292969e-18 } }