{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 97.3755319 -205.2069185 -6.1306817 ] [ 45.4249636 183.6061912 2.0240221 ] [ -74.670592 -14.301577 83.2833211 ] [ -55.3704664 -39.5047035 -110.4790101 ] [ 21.198856 0.3811189 130.7028097 ] [ -33.958293 75.025889 -99.4004612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.560128006481446e-07 -3.28777727247111e-07 -9.8224348893064e-09 ] [ 7.277881468061099e-08 2.941695469747747e-07 3.24284088860252e-09 ] [ -1.196354767636955e-07 -2.2913652309971e-08 1.334345899689993e-07 ] [ -8.871326674887195e-08 -6.329351235933593e-08 -1.770068870713471e-07 ] [ 3.396431147090581e-08 6.106197913250131e-10 2.094089859742114e-07 ] [ -5.44071831268763e-08 1.202047253105359e-07 -1.592570950313775e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 80.916092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.296418708489019e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.1222062 0.0690281 -0.0366349 ] [ 0.2065206 2.9064483 -0.2890002 ] [ 0.1627764 1.4203056 2.4766254 ] [ 2.77848 -0.568745 0.5357879 ] [ 2.9940389 1.1569286 2.7188561 ] [ 2.1898005 3.6577521 1.6139545 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222062e-11 6.90281e-12 -3.66349e-12 ] [ 2.065206e-11 2.9064483e-10 -2.890002e-11 ] [ 1.627764e-11 1.4203056e-10 2.4766254e-10 ] [ 2.77848e-10 -5.68745e-11 5.357879e-11 ] [ 2.9940389e-10 1.1569286e-10 2.7188561e-10 ] [ 2.1898005e-10 3.6577521e-10 1.6139545e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.3e-06 -1e-07 -9.6e-06 ] [ 2.9e-05 -1.94e-05 5.69e-05 ] [ 1.28e-05 2.77e-05 -2.58e-05 ] [ -1.7e-05 8.9e-06 -1.72e-05 ] [ 5.9e-06 -1e-07 2.83e-05 ] [ -3.6e-05 -1.7e-05 -3.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.491536090240001e-15 -1.6021766208e-16 -1.538089555968e-14 ] [ 4.64631220032e-14 -3.108222644352e-14 9.116384972352e-14 ] [ 2.050786074624e-14 4.438029239616e-14 -4.133615681664e-14 ] [ -2.72370025536e-14 1.425937192512e-14 -2.755743787776e-14 ] [ 9.45284206272e-15 -1.6021766208e-16 4.534159836864e-14 ] [ -5.76783583488e-14 -2.72370025536e-14 -5.223095783807999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.539142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.489645001969136e-18 } }