{ "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" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.4402691 -16.1012173 8.3314876 ] [ -13.4636631 7.1331466 -12.5141443 ] [ 3.9381762 11.8515359 17.3782562 ] [ 11.0294997 -12.0567795 -5.103628 ] [ 8.9362563 9.1733143 -8.0919715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.672715506688066e-08 -2.57969939244805e-08 1.33485146492051e-08 ] [ -2.157116624914765e-08 1.142856071525901e-08 -2.004986942677758e-08 ] [ 6.309653836230985e-09 1.898825373955189e-08 2.784303579391265e-08 ] [ 1.767120655846062e-08 -1.931709023704071e-08 -8.176913462860262e-09 ] [ 1.431746092133671e-08 1.469726970671032e-08 -1.296476755347991e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 57.032978 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.137690396620075e-18 } "relaxed-configuration-positions" { "source-value" [ [ -1.1599701 -1.4069888 3.6520035 ] [ -1.5687957 2.5742371 -0.134148 ] [ 1.525008 3.3358247 4.5504781 ] [ 3.3909214 -1.1552067 0.5736935 ] [ 3.6711891 4.2193152 -0.5679145 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.1599701e-10 -1.4069888e-10 3.6520035e-10 ] [ -1.5687957e-10 2.5742371e-10 -1.34148e-11 ] [ 1.525008e-10 3.3358247e-10 4.550478100000001e-10 ] [ 3.3909214e-10 -1.1552067e-10 5.736935e-11 ] [ 3.6711891e-10 4.2193152e-10 -5.679145e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.423018699623083e-34 } }