{ "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" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9000871 -0.0314457 0.6365698 ] [ 0.4255386 1.3474494 -0.3018417 ] [ -0.5942854 -1.4728654 0.0414126 ] [ -0.0094859 -0.1732466 -0.268883 ] [ -0.7218544 0.3301084 -0.1072577 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.442098508303672e-09 -5.038156536469056e-11 1.019897251067332e-09 ] [ 6.817879961679628e-10 2.158851926390987e-09 -4.836037149225274e-10 ] [ -9.521501739627762e-10 -2.359790509465241e-09 6.635029952654208e-11 ] [ -1.519808720724672e-11 -2.775716521530893e-10 -4.307980563305664e-10 ] [ -1.156538243301612e-09 5.288919608096948e-10 -1.718457793407802e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.616646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.021409525410984e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3923742 2.7942369 0.7488375 ] [ 1.4366246 1.3656924 2.6770232 ] [ 2.5820999 4.4821134 1.9720395 ] [ 2.6263501 3.0535688 3.900225 ] [ 3.4745952 2.2677665 1.8047901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3923742e-10 2.7942369e-10 7.488375000000001e-11 ] [ 1.4366246e-10 1.3656924e-10 2.6770232e-10 ] [ 2.5820999e-10 4.4821134e-10 1.9720395e-10 ] [ 2.6263501e-10 3.0535688e-10 3.900225e-10 ] [ 3.4745952e-10 2.2677665e-10 1.8047901e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 -6e-07 -2.7e-06 ] [ 5e-07 -1.7e-06 -7e-07 ] [ 1.5e-06 -0.0 -7e-07 ] [ 2.4e-06 1e-07 2.2e-06 ] [ -4.2e-06 2.3e-06 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 -9.6130597248e-16 -4.32587687616e-15 ] [ 8.010883104e-16 -2.72370025536e-15 -1.12152363456e-15 ] [ 2.4032649312e-15 0.0 -1.12152363456e-15 ] [ 3.84522388992e-15 1.6021766208e-16 3.52478856576e-15 ] [ -6.72914180736e-15 3.68500622784e-15 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }