{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2519361 0.630526 0.2961672 ] [ 1.040527 1.338339 0.9480581 ] [ 1.471162 2.964903 0.310665 ] [ 0.0960364 2.590998 1.829013 ] [ 2.039261 0.0625187 0.2196196 ] [ 2.19391 1.549757 2.906446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.519361e-11 6.30526e-11 2.961672e-11 ] [ 1.040527e-10 1.338339e-10 9.480581e-11 ] [ 1.471162e-10 2.964903e-10 3.10665e-11 ] [ 9.60364e-12 2.590998e-10 1.829013e-10 ] [ 2.039261e-10 6.25187e-12 2.196196e-11 ] [ 2.19391e-10 1.549757e-10 2.906446e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -100.878718 -78.9739509 -69.223066 ] [ 76.6978084 57.7461596 72.7367656 ] [ 11.836561 28.5447355 -14.5156429 ] [ -17.1682543 20.0095452 22.4587885 ] [ 31.6835254 -26.6086366 -11.9652819 ] [ -2.1709224 -0.7178529 0.5084366 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.616255235158762e-07 -1.265302177841871e-07 -1.109075779652954e-07 ] [ 1.228834354850779e-07 9.251954685210549e-08 1.165371453169297e-07 ] [ 1.896426130487307e-08 4.57337078650198e-08 -2.325662369026151e-08 ] [ -2.750657565940907e-08 3.205882551228086e-08 3.59829458661919e-08 ] [ 5.076260366040297e-08 -4.263173547188321e-08 -1.917049492146141e-08 ] [ -3.478201114851026e-09 -1.15012713355348e-09 8.146052336790414e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 54.330069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.704636635825084e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3442124 0.4453773 0.5685593 ] [ 2.8689288 1.5545578 0.9318559 ] [ 1.3699035 3.3661558 0.222982 ] [ -0.2683205 2.4848882 1.834563 ] [ 1.8046822 -0.3017321 -0.1183807 ] [ 1.6618509 1.5877946 3.0703894 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.442124e-11 4.453773e-11 5.685593e-11 ] [ 2.8689288e-10 1.5545578e-10 9.318559e-11 ] [ 1.3699035e-10 3.3661558e-10 2.22982e-11 ] [ -2.683205e-11 2.4848882e-10 1.834563e-10 ] [ 1.8046822e-10 -3.017321e-11 -1.183807e-11 ] [ 1.6618509e-10 1.5877946e-10 3.0703894e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 1.09e-05 5.2e-06 ] [ -2.8e-06 -2.8e-06 -1e-06 ] [ 6e-07 -6.8e-06 8.6e-06 ] [ -4e-07 -6e-06 -1.3e-06 ] [ 1.21e-05 -2e-06 -2.1e-06 ] [ -7e-07 6.8e-06 -9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.425937192512e-14 1.746372516672e-14 8.33131842816e-15 ] [ -4.48609453824e-15 -4.48609453824e-15 -1.6021766208e-15 ] [ 9.6130597248e-16 -1.089480102144e-14 1.377871893888e-14 ] [ -6.408706483200001e-16 -9.6130597248e-15 -2.08282960704e-15 ] [ 1.938633711168e-14 -3.2043532416e-15 -3.36457090368e-15 ] [ -1.12152363456e-15 1.089480102144e-14 -1.52206778976e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.053047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.411763997520358e-18 } }