{ "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" [ [ 0.8594843 0.7172344 0.0157799 ] [ 0.2882733 0.8856534 2.226981 ] [ 1.449769 2.87204 1.321697 ] [ 2.751005 0.6869835 1.2059 ] [ 2.852604 2.214321 2.896583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.594843e-11 7.172344000000001e-11 1.57799e-12 ] [ 2.882733e-11 8.856534000000001e-11 2.226981e-10 ] [ 1.449769e-10 2.87204e-10 1.321697e-10 ] [ 2.751005e-10 6.869835e-11 1.2059e-10 ] [ 2.852604e-10 2.214321e-10 2.896583e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2675168 -2.7742839 -7.0223324 ] [ -8.070426 -2.8130479 5.5375806 ] [ -3.0421769 10.7990341 -1.9100018 ] [ 10.0033835 -7.2975791 -2.1653644 ] [ 4.3767361 2.0858769 5.560118 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.23513902503123e-09 -4.444892804041845e-09 -1.125101679476636e-08 ] [ -1.293024785709646e-08 -4.506999578570536e-09 8.872182173115636e-09 ] [ -4.874104705517819e-09 1.730195996224197e-08 -3.060160229645917e-09 ] [ 1.602718717259648e-08 -1.16920106224587e-08 -3.469296217192619e-09 ] [ 7.01230425483137e-09 3.34194320304678e-09 8.908291068489254e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1546864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.258718037635718e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8608339 0.950623 0.1832434 ] [ 0.2994418 0.7108468 2.6043999 ] [ 1.4714118 3.2500434 0.9412097 ] [ 3.1498277 0.4648491 1.0545549 ] [ 2.4196203 1.9998699 2.883533 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.608339000000001e-11 9.50623e-11 1.832434e-11 ] [ 2.994418e-11 7.108468e-11 2.6043999e-10 ] [ 1.4714118e-10 3.2500434e-10 9.412097000000001e-11 ] [ 3.1498277e-10 4.648491e-11 1.0545549e-10 ] [ 2.4196203e-10 1.9998699e-10 2.883533e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 -1e-07 -1e-07 ] [ -0.0 -0.0 0.0 ] [ 1e-07 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 1e-07 1e-07 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 -1.6021766208e-16 -1.6021766208e-16 ] [ 0.0 0.0 0.0 ] [ 1.6021766208e-16 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 1.6021766208e-16 1.6021766208e-16 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }