{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7425857 -7.6101009 -0.9840435 ] [ -2.0900885 5.070993 3.8567525 ] [ -4.171088 0.7088031 2.2733326 ] [ 5.0041587 4.7842235 -3.2545188 ] [ 0.7817974 -4.6964143 2.3009175 ] [ 1.3306417 1.2041368 0.730785 ] [ -0.1128356 0.5383589 -4.9232253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.189753457282534e-09 -1.219272584436237e-08 -1.576611502539579e-09 ] [ -3.348690957692108e-09 8.12462649577756e-09 6.179198738621084e-09 ] [ -6.682819731957791e-09 1.135627764926765e-09 3.642280373030468e-09 ] [ 8.017546141967814e-09 7.665171103533698e-09 -5.214313976273718e-09 ] [ 1.252577526801951e-09 -7.524485255043464e-09 3.686476255261695e-09 ] [ 2.131923039966037e-09 1.929239845099531e-09 1.17084665147769e-09 ] [ -1.807825618033704e-10 8.625460502859424e-10 -7.88787653957764e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.786175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.849659399323495e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6154097 0.5540705 2.0210033 ] [ 1.5281994 2.6544663 2.8240684 ] [ 1.3059747 2.3046876 5.2435978 ] [ 3.8678275 2.8346627 1.8647942 ] [ 3.4369208 1.1712411 5.7773484 ] [ 4.5057242 1.070382 3.5697766 ] [ 3.5192916 3.3151766 4.2771863 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6154097e-10 5.540705e-11 2.0210033e-10 ] [ 1.5281994e-10 2.6544663e-10 2.8240684e-10 ] [ 1.3059747e-10 2.3046876e-10 5.2435978e-10 ] [ 3.8678275e-10 2.8346627e-10 1.8647942e-10 ] [ 3.4369208e-10 1.1712411e-10 5.777348400000001e-10 ] [ 4.505724200000001e-10 1.070382e-10 3.5697766e-10 ] [ 3.5192916e-10 3.3151766e-10 4.2771863e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.98e-05 -4.28e-05 5.3e-05 ] [ -8.56e-05 -2.62e-05 6.8e-06 ] [ -5.6e-06 5.86e-05 -1.37e-05 ] [ 7.49e-05 3.05e-05 -8.15e-05 ] [ -4.4e-05 -7.58e-05 -1.42e-05 ] [ 0.0001213 3.56e-05 -2.05e-05 ] [ -1.2e-06 2.02e-05 7.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.581016271319999e-14 -6.857315993519999e-14 8.491536160199999e-14 ] [ -1.371463198704e-13 -4.197702781079999e-14 1.08948011112e-14 ] [ -8.972189150399999e-15 9.38875507524e-14 -2.19498198858e-14 ] [ 1.200030298866e-13 4.886638733699999e-14 -1.30577395671e-13 ] [ -7.049577189599999e-14 -1.214449888572e-13 -2.27509082028e-14 ] [ 1.943440257042e-13 5.703748817039999e-14 -3.2844620997e-14 ] [ -1.9226119608e-15 3.236396800679999e-14 1.124727997068e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.198393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.877009984494916e-18 } }