{ "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" [ [ -0.29883509999999996 1.2703254999999998 -1.0016160999999995 ] [ 0.32738519999999993 2.0502353999999996 -0.24795239999999988 ] [ 0.26753759999999993 -0.6836874999999999 -0.9595644999999996 ] [ -0.26842699999999997 -0.7884981999999999 -0.41321339999999984 ] [ -5.115477799999999 6.169822199999999 6.170872899999997 ] [ -0.054742299999999994 -1.2509807999999998 1.4146159999999994 ] [ -0.018917599999999996 -0.7774130999999999 0.35652639999999985 ] [ 5.161476999999999 -5.989803499999999 -5.319668799999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.7878661069443e-10 2.03528581690607e-09 -1.604765898436874e-09 ] [ 5.24528913435932e-10 3.284839225016536e-09 -3.972635383512497e-10 ] [ 4.28642487904942e-10 -1.0953881284332e-09 -1.537391808049641e-09 ] [ -4.300674637914816e-10 -1.263313381582882e-09 -6.620408488812785e-10 ] [ -8.195898935381417e-09 9.88514488333282e-09 9.886828290308293e-09 ] [ -8.770683322881983e-11 -2.00429219082968e-09 2.266464682609612e-09 ] [ -3.030933644164607e-11 -1.245553093523652e-09 5.712182627779889e-10 ] [ 8.26959777819692e-09 -9.59672313088601e-09 -8.523048981759186e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.683498 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.556908962316356e-18 } }