{ "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" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7444544 -1.4545014 -0.5426739 ] [ 0.5152423 1.0790504 -0.2590057 ] [ 0.5317415 0.3877532 -0.0946581 ] [ -0.2433244 -0.2490442 0.1754826 ] [ 1.5836795 0.6840003 0.4593204 ] [ -0.6428845 -0.4472583 0.2615348 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.794924055731692e-09 -2.330368138000869e-09 -8.694594352983572e-10 ] [ 8.255091671072198e-10 1.728829323544888e-09 -4.149728771939386e-10 ] [ 8.519437996091232e-10 6.212491116803866e-10 -1.516589947893485e-10 ] [ -3.898486649501875e-10 -3.990127947858394e-10 2.811541190771981e-10 ] [ 2.537334269740233e-09 1.095889289280186e-09 7.359124063365044e-10 ] [ -1.030014515774698e-09 -7.165867917187527e-10 4.190249420856039e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.87334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.382971762120947e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6817083 1.1552979 3.5390896 ] [ 3.1107761 3.5199753 3.6182377 ] [ 5.8670107 1.8345874 2.5035359 ] [ 4.2226803 0.2363043 2.0360431 ] [ 4.6714345 1.9842455 4.5133596 ] [ 4.8937931 3.9349654 2.159839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6817083e-10 1.1552979e-10 3.5390896e-10 ] [ 3.1107761e-10 3.5199753e-10 3.6182377e-10 ] [ 5.8670107e-10 1.8345874e-10 2.5035359e-10 ] [ 4.2226803e-10 2.363043e-11 2.0360431e-10 ] [ 4.671434500000001e-10 1.9842455e-10 4.513359600000001e-10 ] [ 4.8937931e-10 3.9349654e-10 2.159839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 2.57e-05 -1.37e-05 ] [ -5.4e-06 -1.68e-05 -9.4e-06 ] [ -2.56e-05 -1.5e-05 -8.7e-06 ] [ 1.1e-05 1.74e-05 1.13e-05 ] [ 1e-05 2.7e-06 4.4e-06 ] [ -7.8e-06 -1.4e-05 1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 4.117593915456e-14 -2.194981970496e-14 ] [ -8.65175375232e-15 -2.691656722944e-14 -1.506046023552e-14 ] [ -4.101572149248001e-14 -2.4032649312e-14 -1.393893660096e-14 ] [ 1.76239428288e-14 2.787787320192e-14 1.810459581504e-14 ] [ 1.6021766208e-14 4.32587687616e-15 7.04957713152e-15 ] [ -1.249697764224e-14 -2.24304726912e-14 2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.021857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727202132800083e-18 } }