{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.532091e-10 -2.750932e-11 8.5804432e-10 ] [ -1.4304765e-10 -1.0511857e-10 2.4389282e-10 ] [ -8.933353000000001e-11 6.2777507e-10 2.5826624e-10 ] [ 5.916140600000001e-10 -4.55422e-12 1.9505191e-10 ] [ 5.8654695e-10 6.977013000000001e-10 -2.195456e-11 ] [ 5.157778399999999e-10 6.4228665e-10 7.0752827e-10 ] ] "source-value" [ [ 2.532091 -0.2750932 8.5804432 ] [ -1.4304765 -1.0511857 2.4389282 ] [ -0.8933353 6.2777507 2.5826624 ] [ 5.9161406 -0.0455422 1.9505191 ] [ 5.8654695 6.977013 -0.2195456 ] [ 5.1577784 6.4228665 7.0752827 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.6021766208e-16 -8.010883104e-16 4.8065298624e-16 ] [ -1.6021766208e-16 -1.6021766208e-16 -3.2043532416e-16 ] [ 0.0 1.6021766208e-16 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -6.408706483200001e-16 ] [ 3.2043532416e-16 8.010883104e-16 4.8065298624e-16 ] ] "source-value" [ [ -1e-07 -5e-07 3e-07 ] [ -1e-07 -1e-07 -2e-07 ] [ 0.0 1e-07 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -4e-07 ] [ 2e-07 5e-07 3e-07 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.96846986434736e-31 "source-value" 3.101075e-12 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.088436604510873e-09 -7.132747561864686e-09 1.039765042253562e-08 ] [ -8.065682831614208e-09 -6.453087416466808e-09 -1.900938020069142e-09 ] [ -1.110603038494965e-08 6.036504832421952e-09 -3.982748642778313e-09 ] [ 8.315185150459192e-09 -1.011842099823299e-08 -6.100095542936828e-09 ] [ 6.651475815013734e-09 9.516928166246029e-09 -9.08201604078857e-09 ] [ 5.293488695384145e-09 8.150822977896506e-09 1.066814782403723e-08 ] ] "source-value" [ [ -0.6793487 -4.4519109 6.489703 ] [ -5.0342033 -4.0277004 -1.1864722 ] [ -6.931839 3.76769 -2.4858362 ] [ 5.1899304 -6.3154217 -3.8073802 ] [ 4.1515247 5.9399994 -5.6685486 ] [ 3.3039358 5.0873436 6.6585342 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 6.812752195404759e-18 "source-value" 42.521855 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.791974e-10 1.969692e-10 5.430326e-10 ] [ 9.772327e-11 1.558703e-10 3.532753e-10 ] [ 1.904195e-10 3.961743e-10 3.08361e-10 ] [ 3.942728e-10 2.452708e-10 3.176311e-10 ] [ 3.885409e-10 4.511937e-10 2.468279e-10 ] [ 3.646129e-10 3.851026e-10 4.717011000000001e-10 ] ] "source-value" [ [ 2.791974 1.969692 5.430326 ] [ 0.9772327 1.558703 3.532753 ] [ 1.904195 3.961743 3.08361 ] [ 3.942728 2.452708 3.176311 ] [ 3.885409 4.511937 2.468279 ] [ 3.646129 3.851026 4.717011 ] ] } "instance-id" 1 }