{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0207639 -0.536908 0.1792254 ] [ 0.5105094 0.4096791 0.0957512 ] [ -0.2917646 0.2934717 -0.3946896 ] [ -0.5069413 0.0799435 -0.5083605 ] [ 0.0436213 -0.0087613 -0.5423682 ] [ 0.4843214 -0.1369617 0.0643515 ] [ -0.1358709 0.3171254 0.7573901 ] [ -0.0831115 -0.4175887 0.3487001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.326743513662912e-11 -8.602214451204865e-10 2.871507457335283e-10 ] [ 8.179262253786355e-10 6.563782760503853e-10 1.53410334053545e-10 ] [ -4.674584208970637e-10 4.701934966064313e-10 -6.323624495929036e-10 ] [ -8.122094989779592e-10 1.280836066849248e-10 -8.144833080381984e-10 ] [ 6.988902702890305e-11 -1.403715002781504e-11 -8.689696499053785e-10 ] [ 7.759684240331251e-10 -2.194368336850234e-10 1.031024688134112e-10 ] [ -2.176891794270547e-10 5.080909017418483e-10 1.213472711045374e-09 ] [ -1.331593022196192e-10 -6.69050852250265e-10 5.586791478906221e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 157.78154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.527938945818201e-17 } }