{ "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" [ [ -0.1364415 0.2646991 -0.3823569 ] [ 0.6099645 -0.8722226 -0.4246515 ] [ -0.8727594 0.7804817 0.5765103 ] [ -1.6408502 2.1595625 -1.3132997 ] [ -0.6528025 -0.3327266 -0.1520794 ] [ 2.0087588 -1.2850427 -0.5717683 ] [ 0.0153977 -0.8980615 1.2735497 ] [ 0.6687326 0.1833101 0.9940959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.186033814068832e-10 4.240947095668013e-10 -6.126032859815635e-10 ] [ 9.772708614179617e-10 -1.39745465785339e-09 -6.803667052876512e-10 ] [ -1.398314706263435e-09 1.250469532702239e-09 9.236713243103943e-10 ] [ -2.628931828675004e-09 3.4600005486564e-09 -2.104138075443654e-09 ] [ -1.045904903499792e-09 -5.330867796382733e-10 -2.436580591852915e-10 ] [ 3.218386386186263e-09 -2.058865370669708e-09 -9.160738027745607e-10 ] [ 2.466983495409216e-11 -1.438853139340579e-09 2.040451554766854e-09 ] [ 1.071427737286798e-09 2.936951565765101e-10 1.592717209813135e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.336504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.821749719040569e-18 } }