{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6417794000000006 1.7379007000000004 -0.29925160000000006 ] [ -0.6699327000000002 -0.41045510000000013 0.31137250000000005 ] [ -0.03865830000000001 0.3243267000000001 -0.8696643000000002 ] [ 0.34396980000000005 -0.5181314000000001 -0.4158503000000001 ] [ 0.017023500000000004 0.25884860000000004 -0.35594830000000005 ] [ 0.09430140000000002 -0.024637700000000005 -0.7401488000000002 ] [ -0.21286980000000005 0.6519374000000001 0.36285610000000007 ] [ -1.1756133000000002 -2.0197892000000004 2.0066347000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.630420571191053e-09 2.784423870811955e-09 -4.794539172569934e-10 ] [ -1.07335050944942e-09 -6.576215651081262e-10 4.988737398600481e-10 ] [ -6.193742445987265e-11 5.196286562412155e-10 -1.393355809404398e-09 ] [ 5.511003718212519e-10 -8.301380155823733e-10 -6.662656284126663e-10 ] [ 2.727465370418881e-11 4.14721175246811e-10 -5.702920444735047e-10 ] [ 1.510874983887092e-10 -3.947394693028417e-11 -1.185849103273175e-09 ] [ -3.410550168343719e-10 1.044518860505138e-09 5.813595601346669e-10 ] [ -1.883540144361537e-09 -3.236059035184336e-09 3.214983202826023e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.606923038775914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.820940045695166e-18 } }