{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3626599 -30.5769877 1.2488185 ] [ -19.7359812 27.1841265 -9.5837632 ] [ -0.4968962 4.3651525 7.3999218 ] [ 0.6601259 -0.8583609 1.8844538 ] [ 17.2172452 0.2755107 -1.6467379 ] [ 2.7181662 -0.3894412 0.6973069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.81045213081666e-10 -4.898973482742917e-08 2.000827804322525e-09 ] [ -3.162052766718833e-08 4.355377193516973e-08 -1.535488133832339e-08 ] [ -7.96115474604361e-10 6.993745281726672e-09 1.185598170370826e-08 ] [ 1.057638283764559e-09 -1.375245766188847e-09 3.019227821337719e-09 ] [ 2.758506773402102e-08 4.414168023202426e-10 -2.638364963965288e-09 ] [ 4.354982337088777e-09 -6.23953585816297e-10 1.117208812702524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.3270074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.334133657750859e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3513839 0.6923194 0.8710379 ] [ 0.0379687 3.2289973 0.3511225 ] [ 0.2914859 2.9690291 2.9336494 ] [ 1.5027362 -0.0376103 2.9239286 ] [ 2.2976535 2.8168602 0.1117482 ] [ 2.7740212 1.9931216 2.9449517 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.513839e-11 6.923194000000001e-11 8.710379e-11 ] [ 3.79687e-12 3.2289973e-10 3.511225e-11 ] [ 2.914859e-11 2.9690291e-10 2.9336494e-10 ] [ 1.5027362e-10 -3.76103e-12 2.9239286e-10 ] [ 2.2976535e-10 2.8168602e-10 1.117482e-11 ] [ 2.7740212e-10 1.9931216e-10 2.9449517e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.9089636 -2.910507 0.47303 ] [ 1.8620082 2.3850684 2.195314 ] [ -0.9044694 0.8512981 -2.6141215 ] [ -0.1702512 -0.6080809 0.4321882 ] [ -1.9537997 0.446361 -0.0980972 ] [ 0.2575485 -0.1641396 -0.3883135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.456320229078203e-09 -4.663146270074745e-09 7.578776069370241e-10 ] [ 2.983266005777891e-09 3.821300829488863e-09 3.517280766114932e-09 ] [ -1.449119726909003e-09 1.36392991315146e-09 -4.188284351230627e-09 ] [ -2.727724923031449e-10 -9.742530015350228e-10 6.924418298256347e-10 ] [ -3.130332201066054e-09 7.151491586369089e-10 -1.571690404059418e-10 ] [ 4.126381854221088e-10 -2.629806296674637e-10 -6.221468112410208e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.362014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.660177657520229e-18 } }