{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.294822 0.0602511 -0.0749858 ] [ 0.6272733 -0.284772 -0.3990402 ] [ -0.6545499 0.4575451 0.3988518 ] [ -0.6633711 1.2230465 -0.6839203 ] [ -0.4832412 -0.2603008 -0.0398366 ] [ 1.2636084 -0.547377 -0.295377 ] [ -0.1390716 -0.5334149 0.647144 ] [ 0.3441739 -0.1149779 0.447164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.723569156974975e-10 9.65329037974829e-11 -1.201404956519847e-10 ] [ 1.005002616112065e-09 -4.562550406584577e-10 -6.393328791993562e-10 ] [ -1.048704546926978e-09 7.330680621815981e-10 6.390310291239975e-10 ] [ -1.062837667334379e-09 1.959536508451267e-09 -1.095761115150522e-09 ] [ -7.742377528473369e-10 -4.170478561355367e-10 -6.382526917216129e-11 ] [ 2.024523836326495e-09 -8.769946321636416e-10 -4.732461237220416e-10 ] [ -2.228172661372492e-10 -8.546248819663699e-10 1.036838987090995e-09 ] [ 5.514273760695571e-10 -1.842149032886803e-10 7.164357064634112e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.987209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.926004152844335e-18 } }