{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3482204 0.0768433 0.8688309 ] [ -2.2335948 -0.5152981 1.9904608 ] [ 1.4503218 -3.398941 0.7255289 ] [ 0.0075085 0.5092053 0.0768308 ] [ -1.7837798 1.0429418 0.9203986 ] [ -0.1396482 1.3341953 1.1688642 ] [ 2.8201148 1.2148425 -2.2292351 ] [ -0.4691427 -0.2637892 -3.5216792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.579105883621335e-10 1.231165397394522e-10 1.392020566877191e-09 ] [ -3.578613398383903e-09 -8.255985753645953e-10 3.189069784652947e-09 ] [ 2.323671699740821e-09 -5.445703850544594e-09 1.162425450871723e-09 ] [ 1.2029943256389e-11 8.158368335689601e-10 1.230965125315272e-10 ] [ -2.857930315761193e-09 1.670976982581901e-09 1.474641130886312e-09 ] [ -2.237410830201588e-10 2.13761653485262e-09 1.872726909559102e-09 ] [ 4.518322037757582e-09 1.946392267490145e-09 -3.571628388912653e-09 ] [ -7.516494719516718e-10 -4.226368925415528e-10 -5.642352126683812e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.920416 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.755085119875975e-18 } }