{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8848876 9.7115905 -5.9778854 ] [ 4.8195038 1.4230794 -3.7718539 ] [ 31.9662161 28.2192574 -13.1658479 ] [ 3.8451753 -0.7758883 -6.0688347 ] [ -0.3623823 -4.4296986 -8.1497242 ] [ -24.3406323 -31.1869434 13.9518007 ] [ -6.0193272 1.1560496 10.0505072 ] [ -14.7934411 -4.1174467 13.1318381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.826452707955822e-09 1.555968324988338e-08 -9.577628229701656e-09 ] [ 7.721696312216758e-09 2.280024544222091e-09 -6.043176135653301e-09 ] [ 5.121552409086056e-08 4.521223446261739e-08 -2.109401369838877e-08 ] [ 6.160649968537627e-09 -1.243110094612257e-09 -9.723345071839782e-09 ] [ -5.806004488517318e-10 -7.097159534110491e-09 -1.305729757920798e-08 ] [ -3.899799200654934e-08 -4.996699158969287e-08 2.235324889960107e-08 ] [ -9.644025312785527e-09 1.852195641605192e-09 1.610268766302207e-08 ] [ -2.370170547160184e-08 -6.596876840130111e-09 2.103952399195069e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.063821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.253272520531608e-18 } }