{ "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" [ [ 4.7323536 -0.246862 -1.5010774999999998 ] [ -0.5216277 -1.3229532 0.4518808999999999 ] [ 0.551035 0.4666305 1.9788277999999997 ] [ -3.0866466 -1.7354183 3.1527025999999996 ] [ 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" [ [ 7.582066361745781e-09 -3.95516528222508e-10 -2.404991296323135e-09 ] [ -8.357397125871617e-10 -2.119604704915528e-09 7.239930193308904e-10 ] [ 8.8285540151619e-10 7.476244838117369e-10 3.170431663869624e-09 ] [ -4.945353059935543e-09 -2.780446650476002e-09 5.051186439671047e-09 ] [ 1.874525673266094e-09 4.812092018402595e-09 -6.927622708573187e-10 ] [ -2.471434362423432e-09 8.972064180622549e-10 -2.97747752639542e-09 ] [ -7.590367879757189e-10 -3.767696196457374e-10 -4.6859840546698e-09 ] [ -1.32788351360621e-09 -7.845852567991463e-10 1.81560402537411e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.525877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.691873003175801e-18 } }