{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40836e-10 0.0 0.0 ] "source-value" [ 5.40836 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] "source-value" [ 0.0676972 5.56169 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] "source-value" [ 0.0290382 0.0456166 5.46301 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.481287067240349e-09 -7.654009476953146e-10 -2.051104427118553e-09 ] [ 2.089428491888089e-09 -4.011393638146273e-10 -9.128452566659866e-10 ] [ -4.929259795906522e-09 9.682417950714433e-11 7.44423328763856e-10 ] [ 2.925012786457548e-09 3.230076347464606e-09 1.10558197718304e-10 ] [ 5.644658894096276e-10 -2.244171035801829e-09 1.052667210363203e-09 ] [ 4.049610357082214e-09 -3.610695834208337e-09 -3.969033850686603e-09 ] [ -3.524189672139145e-09 1.164528618544865e-09 9.222026090021069e-10 ] [ 2.306218850230875e-09 2.529978196221154e-09 4.103132028406011e-09 ] ] "source-value" [ [ -2.1728485 -0.4777257 -1.2801987 ] [ 1.3041187 -0.2503715 -0.5697532 ] [ -3.076602 0.0604329 0.4646325 ] [ 1.8256494 2.0160551 0.069005 ] [ 0.3523119 -1.4007014 0.6570232 ] [ 2.527568 -2.2536191 -2.4772761 ] [ -2.1996262 0.7268416 0.5755936 ] [ 1.4394286 1.5790882 2.5609736 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.680255573604224e-18 "source-value" -35.453367 } }