{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5709649 -1.8786803 -2.4632586 ] [ 0.6276038 0.3831952 5.0555496 ] [ -1.7255057 -4.4081202 -5.327856 ] [ -0.4935903 0.3590654 8.3143292 ] [ 1.8165901 0.6749512 -6.2865014 ] [ 1.2272756 1.115922 4.2149093 ] [ 0.7699738 1.458075 -3.3781652 ] [ -0.6513824 2.2955917 -0.1290069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.51696323487741e-09 -3.009977654617531e-09 -3.946575339904539e-09 ] [ 1.005532135485239e-09 6.139463906427802e-10 8.099883374414791e-09 ] [ -2.764564891597139e-09 -7.06258712611622e-09 -8.536166322189005e-09 ] [ -7.908188389136582e-10 5.752861892182002e-10 1.332102386187477e-08 ] [ 2.910498187796734e-09 1.081391032820905e-09 -1.007208556970647e-08 ] [ 1.966312273598292e-09 1.787904139036378e-09 6.753029139252495e-09 ] [ 1.233634020988535e-09 2.33609367637296e-09 -5.412417304640156e-09 ] [ -1.043629652480594e-09 3.677943352642527e-09 -2.066918391018835e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.791475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.850508529454768e-18 } }