{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14797 7.602026 7.263672 7.017839 6.824645 6.665474 6.530119 6.412372 6.308174 6.214727 6.130018 6.052551 5.981186 5.915031 5.853377 5.795649 5.741379 5.690174 5.641708 5.595701 5.551917 5.51015 5.470223 5.43198 5.405945 5.378545 5.349627 5.319015 5.286496 5.251819 5.214675 5.174687 5.131382 5.084161 5.032244 4.974593 4.909782 4.835777 4.749531 4.646178 4.517206 4.34558 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.147970000000001e-10 7.602026e-10 7.263672e-10 7.017839e-10 6.824645e-10 6.665474e-10 6.530119e-10 6.412372000000001e-10 6.308174e-10 6.214727000000001e-10 6.130018e-10 6.052551e-10 5.981186000000001e-10 5.915031e-10 5.853377000000001e-10 5.795649e-10 5.741379e-10 5.690174e-10 5.641708000000001e-10 5.595701e-10 5.551917e-10 5.510150000000001e-10 5.470223e-10 5.43198e-10 5.405945e-10 5.378545e-10 5.349627e-10 5.319015000000001e-10 5.286496e-10 5.251819e-10 5.214675e-10 5.174687e-10 5.131382000000001e-10 5.084161e-10 5.032244000000001e-10 4.974592999999999e-10 4.909782e-10 4.835777e-10 4.749531000000001e-10 4.646178e-10 4.517206e-10 4.3455800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0.173662 1.06723 2.17438 3.09715 3.67762 3.90864 4.02792 4.13246 4.22386 4.30344 4.3723 4.43138 4.48149 4.52331 4.55745 4.58445 4.60478 4.61886 4.62706 4.62973 4.62844 4.62423 4.61643 4.60423 4.58659 4.56215 4.52913 4.48516 4.42701 4.3502 4.24832 4.11193 3.92656 3.66899 3.29956 2.74481 1.85214 0.245038 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 2.78237198613708e-20 1.7098909691038197e-19 3.48374082943692e-19 4.9621813619931e-19 5.892196832731079e-19 6.26233167871776e-19 6.45343930762128e-19 6.620930852939639e-19 6.76736979728724e-19 6.894871013820959e-19 7.005196896838199e-19 7.09985349237492e-19 7.18013856350466e-19 7.24714159033854e-19 7.3018399006233e-19 7.3450986697413e-19 7.37767092071052e-19 7.400229567717239e-19 7.41336741611604e-19 7.41764522772882e-19 7.41557841987096e-19 7.408833256241819e-19 7.39633627849662e-19 7.3767897235618195e-19 7.34852732773806e-19 7.309370130803099e-19 7.25646625834842e-19 7.186018551751439e-19 7.09285198048434e-19 6.9697887932268e-19 6.806559037754879e-19 6.588038166643619e-19 6.291042683999039e-19 5.87837004837966e-19 5.286477934481039e-19 4.39767044676954e-19 2.9674554308967595e-19 3.9259415804209195e-20 ] } }