{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.38323089999999993 1.6145138999999997 -1.1696654999999996 ] [ 0.45186269999999995 2.0690536999999996 -0.33911929999999985 ] [ 0.07480019999999998 -0.8804976999999999 -0.8663938999999997 ] [ -0.2763902999999999 -0.9055569999999998 -0.21563629999999992 ] [ -2.4770492999999996 3.9200544999999996 3.3053564999999985 ] [ 0.27895509999999996 -1.1857122999999998 1.5100714999999993 ] [ -0.25481899999999996 -0.9293918999999999 0.3888233999999998 ] [ 2.5858714999999997 -3.7024631999999995 -2.613436499999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.140035934067904e-10 2.586736445848212e-09 -1.874010733695926e-09 ] [ 7.239638597161517e-10 3.314989492631245e-09 -5.433290185984359e-10 ] [ 1.198431326585268e-10 -1.410712841230742e-09 -1.388116062420132e-09 ] [ -4.4282608052425e-10 -1.450862266155138e-09 -3.45487441302214e-10 ] [ -3.968670509726055e-09 6.280619723906552e-09 5.295764951340018e-09 ] [ 4.469353431551333e-10 -1.899720541706398e-09 2.41940127296933e-09 ] [ -4.082650476992459e-10 -1.489049986008864e-09 6.229637662324352e-10 ] [ 4.14302289582653e-09 -5.932000027284867e-09 -4.187186894742738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.88761029230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.429393739242654e-18 } }