{ "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" [ [ 4.7323538 -0.2468622 -1.5010776999999997 ] [ -0.5216277 -1.3229532 0.4518808999999999 ] [ 0.551035 0.4666305 1.9788277999999997 ] [ -3.0866468 -1.7354181 3.1527027999999997 ] [ 1.1699869 3.0034716 -0.43238819999999994 ] [ -1.542548 0.5599922 -1.8583952999999998 ] [ -0.4737535 -0.2351611 -2.9247611999999994 ] [ -0.8287997 -0.4896996 1.1332108999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.58206661971404e-09 -3.955168453992538e-10 -2.404991596944236e-09 ] [ -8.357397057016762e-10 -2.119604687452546e-09 7.239930133660627e-10 ] [ 8.828553942425281e-10 7.476244776522144e-10 3.170431637749098e-09 ] [ -4.945353339627134e-09 -2.780446307133157e-09 5.051186718490698e-09 ] [ 1.874525657822267e-09 4.81209197875677e-09 -6.927622651497945e-10 ] [ -2.471434342061798e-09 8.972064106703578e-10 -2.977477501864602e-09 ] [ -7.590367817221728e-10 -3.767696165416109e-10 -4.685984016062951e-09 ] [ -1.327883502666054e-09 -7.845852503351117e-10 1.815604010415726e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.525877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.691872956281645e-18 } }