{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1501776 0.7389508 1.254214 ] [ 0.5251994 1.126951 2.894489 ] [ 1.795844 1.050789 0.3566565 ] [ 2.560887 2.159455 0.963327 ] [ 1.607121 2.890729 1.590789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.501776e-11 7.389508e-11 1.254214e-10 ] [ 5.251994e-11 1.126951e-10 2.894489e-10 ] [ 1.795844e-10 1.050789e-10 3.566565e-11 ] [ 2.560887e-10 2.159455e-10 9.633270000000001e-11 ] [ 1.607121e-10 2.890729e-10 1.590789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7626867 -4.4336169 -8.0791619 ] [ 0.8612561 2.9052531 10.5761355 ] [ -3.9358614 -15.3265606 -11.5859686 ] [ 23.1117642 0.8365546 -4.952763 ] [ -14.2744722 16.0183698 14.041758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.232841903735104e-09 -7.103437342763771e-09 -1.294424431183811e-08 ] [ 1.379884387941387e-09 4.654728594326724e-09 1.694483703651292e-08 ] [ -6.305945117789157e-09 -2.455585707059442e-08 -1.85627680202429e-08 ] [ 3.702912826668242e-08 1.340308222142696e-09 -7.93520108696327e-09 ] [ -2.287022563309954e-08 2.566425759688877e-08 2.249737638253137e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.6767451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.229950152306096e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0137855 1.0334338 1.0355542 ] [ 0.5581767 1.173264 3.3985168 ] [ 1.9265286 0.4347981 -0.0498969 ] [ 3.0312581 2.3239047 0.7776884 ] [ 1.1370512 3.0014742 1.8976129 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.37855e-12 1.0334338e-10 1.0355542e-10 ] [ 5.581767e-11 1.173264e-10 3.3985168e-10 ] [ 1.9265286e-10 4.347981e-11 -4.98969e-12 ] [ 3.0312581e-10 2.3239047e-10 7.776884e-11 ] [ 1.1370512e-10 3.0014742e-10 1.8976129e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.1e-06 -2.9e-06 -2.06e-05 ] [ -7.5e-06 -1.03e-05 1.1e-05 ] [ -1.1e-05 -1.86e-05 9.4e-06 ] [ -1.26e-05 2.21e-05 -3.5e-06 ] [ 2.39e-05 9.7e-06 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.137545400768e-14 -4.646312200320001e-15 -3.300483838848e-14 ] [ -1.2016324656e-14 -1.650241919424e-14 1.76239428288e-14 ] [ -1.76239428288e-14 -2.980048514688e-14 1.506046023552e-14 ] [ -2.018742542208e-14 3.540810331968e-14 -5.6076181728e-15 ] [ 3.829202123712e-14 1.554111322176e-14 5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.457994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.675555348726667e-18 } }