{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5467569 -0.6490241 -0.4566037 ] [ 0.611839 1.9342515 -0.0441989 ] [ 0.7070417 -0.188578 0.6871968 ] [ -0.8648547 -0.0502968 -0.1847666 ] [ 1.0927309 -1.0463526 -0.0016276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.478177743241084e-09 -1.039851239355761e-09 -7.31559773110777e-10 ] [ 9.802741414936512e-10 3.099012532047331e-09 -7.081444424507713e-11 ] [ 1.132805681670687e-09 -3.021352627972224e-10 1.101010646848574e-09 ] [ -1.385649980728998e-09 -8.058435706105343e-11 -2.960287268247053e-10 ] [ 1.750747900805743e-09 -1.676441672833294e-09 -2.60770266801408e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -11.554137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.851176817492025e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9063257 2.7882876 2.7604914 ] [ 3.2740692 3.0820375 2.658009 ] [ 2.2585041 2.2417243 4.6101425 ] [ 0.6491403 5.0765701 2.4720806 ] [ 2.9398371 5.3607614 2.3729364 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.063257e-11 2.7882876e-10 2.7604914e-10 ] [ 3.2740692e-10 3.0820375e-10 2.658009e-10 ] [ 2.2585041e-10 2.2417243e-10 4.610142500000001e-10 ] [ 6.491403e-11 5.0765701e-10 2.4720806e-10 ] [ 2.9398371e-10 5.3607614e-10 2.3729364e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.15e-05 2.7e-06 3.2e-06 ] [ -9e-06 -1.6e-06 3e-06 ] [ -1e-07 -1.27e-05 4.3e-06 ] [ -2.4e-06 4.7e-06 -4.3e-06 ] [ -0.0 6.9e-06 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.84250311392e-14 4.32587687616e-15 5.126965186560001e-15 ] [ -1.44195895872e-14 -2.56348259328e-15 4.8065298624e-15 ] [ -1.6021766208e-16 -2.034764308416e-14 6.889359469440001e-15 ] [ -3.84522388992e-15 7.53023011776e-15 -6.889359469440001e-15 ] [ 0.0 1.105501868352e-14 -9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.912293 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.06877739655195e-18 } }