{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8583085 6.3252739 5.8161996 ] [ -9.6787894 -8.8343748 7.293295 ] [ -4.6819316 -8.1847871 -6.5346582 ] [ 9.3742464 -1.2494467 3.4584054 ] [ 0.5376196 2.0522848 -3.5245351 ] [ 1.7645336 0.890309 0.8956319 ] [ 7.9557743 8.2004557 -6.7054058 ] [ 0.5868557 0.800285 -0.6989329 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.386044993463587e-09 1.013420604623005e-08 9.318579097800147e-09 ] [ -1.550713022208688e-08 -1.415422888055842e-08 1.168514683386903e-08 ] [ -7.501281411506234e-09 -1.311347464588462e-08 -1.04696766792165e-08 ] [ 1.501919854343862e-08 -2.001834308168408e-09 5.540976322779423e-09 ] [ 8.613615611004263e-10 3.288122752873362e-09 -5.646927782932852e-09 ] [ 2.827094503827902e-09 1.426432276839906e-09 1.434960502845025e-09 ] [ 1.27465556888377e-08 1.313857851069211e-08 -1.074324449424808e-08 ] [ 9.402464900697138e-10 1.28219792754069e-09 -1.119813961113858e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.54973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.413953367900882e-18 } }