{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7203828 0.4600015 -0.37358099999999994 ] [ -0.5528366 -0.7185721 0.5723963999999999 ] [ 0.3701453 0.730156 0.6583050999999999 ] [ -1.9115661 -1.8360792 1.8731383999999998 ] [ 1.2209054 1.9105168 -1.0085925999999998 ] [ -1.2048667 0.0522682 -0.9789419999999999 ] [ 0.2194643 -0.2396152 -1.6631722999999998 ] [ -0.8616283 -0.358676 0.9204480999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.358533721786442e-09 7.370036488329312e-10 -5.985427441750847e-10 ] [ -8.857418756425614e-10 -1.15127941897916e-09 9.17080129910085e-10 ] [ 5.930381459590022e-10 1.169838872736845e-09 1.054721040573406e-09 ] [ -3.062666514533835e-09 -2.941723168177168e-09 3.001098552002718e-09 ] [ 1.956106088088472e-09 3.060985350605629e-09 -1.615943483631886e-09 ] [ -1.930409257920447e-09 8.374288805129857e-11 -1.568437985519193e-09 ] [ 3.516205705602375e-10 -3.839058714283162e-10 -2.664695775422164e-09 ] [ -1.380480718079649e-09 -5.746623016420609e-10 1.47472042647978e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.551064 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.856126020616453e-18 } }